3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene

C352H256 — CID 158782426

IUPAC3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(-c2c3c(c(-c4cc(-c5ccccc5)cc(C(C)(C)C)c4)c4cc5ccccc5cc24)-c2cc4ccccc4c4cccc-3c24)c1.Cc1cccc(-c2cc(-c3c4c(c(-c5cc(-c6cccc(C)c6)cc(C(C)(C)C)c5)c5cc6ccccc6cc35)-c3cc5ccccc5c5cccc-4c35)cc(C(C)(C)C)c2)c1.Cc1ccccc1-c1ccc(C(C)(C)C)cc1-c1c2c(c(-c3cc(C(C)(C)C)ccc3-c3ccccc3C)c3cc4ccccc4cc13)-c1cc3ccccc3c3cccc-2c13.c1ccc(-c2ccc(-c3c4c(c(-c5ccc(-c6ccccc6)cc5)c5cc6ccccc6cc35)-c3cc5ccccc5c5cccc-4c35)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3c4c(c(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c5cc6ccccc6cc35)-c3cc5ccccc5c5cccc-4c35)c2)cc1.c1ccc(-c2ccccc2-c2c3c(c(-c4ccccc4-c4ccccc4)c4cc5ccccc5cc24)-c2cc4ccccc4c4cccc-3c24)cc1
InChIInChI=1S/C64H40.2C62H52.C60H48.2C52H32/c1-5-18-41(19-6-1)47-32-34-51(43-22-9-3-10-23-43)55(38-47)61-57-36-45-26-13-14-27-46(45)37-58(57)62(56-39-48(42-20-7-2-8-21-42)33-35-52(56)44-24-11-4-12-25-44)64-59-40-49-28-15-16-29-50(49)53-30-17-31-54(60(53)59)63(61)64;1-37-18-9-14-23-44(37)47-30-28-42(61(3,4)5)35-53(47)57-51-32-39-20-11-12-21-40(39)33-52(51)58(54-36-43(62(6,7)8)29-31-48(54)45-24-15-10-19-38(45)2)60-55-34-41-22-13-16-25-46(41)49-26-17-27-50(56(49)55)59(57)60;1-37-16-13-21-39(26-37)44-28-46(32-48(30-44)61(3,4)5)56-53-34-41-18-9-10-19-42(41)35-54(53)57(47-29-45(31-49(33-47)62(6,7)8)40-22-14-17-38(2)27-40)60-55-36-43-20-11-12-23-50(43)51-24-15-25-52(58(51)55)59(56)60;1-59(2,3)46-30-42(37-18-9-7-10-19-37)28-44(32-46)54-51-34-39-22-13-14-23-40(39)35-52(51)55(45-29-43(38-20-11-8-12-21-38)31-47(33-45)60(4,5)6)58-53-36-41-24-15-16-25-48(41)49-26-17-27-50(56(49)53)57(54)58;1-3-16-33(17-4-1)38-23-11-13-26-42(38)49-45-30-35-20-7-8-21-36(35)31-46(45)50(43-27-14-12-24-39(43)34-18-5-2-6-19-34)52-47-32-37-22-9-10-25-40(37)41-28-15-29-44(48(41)47)51(49)52;1-3-12-33(13-4-1)35-22-26-37(27-23-35)48-45-30-39-16-7-8-17-40(39)31-46(45)49(38-28-24-36(25-29-38)34-14-5-2-6-15-34)52-47-32-41-18-9-10-19-42(41)43-20-11-21-44(50(43)47)51(48)52/h1-40H;2*9-36H,1-8H3;7-36H,1-6H3;2*1-32H
InChIKeyIRGAJBBDCADYSD-UHFFFAOYSA-N
MW4485.92 g/mol
LogP100.04
Rot. Bonds26

About 3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene

3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene (PubChem CID 158782426) has the molecular formula C352H256 and a molecular weight of 4485.92 g/mol. Its IUPAC name is 3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene.

Molecular Properties

Compound Name3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene
PubChem CID158782426
Molecular FormulaC352H256
Molecular Weight4485.92 g/mol
Exact Mass4482.00
IUPAC Name3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(-c2c3c(c(-c4cc(-c5ccccc5)cc(C(C)(C)C)c4)c4cc5ccccc5cc24)-c2cc4ccccc4c4cccc-3c24)c1.Cc1cccc(-c2cc(-c3c4c(c(-c5cc(-c6cccc(C)c6)cc(C(C)(C)C)c5)c5cc6ccccc6cc35)-c3cc5ccccc5c5cccc-4c35)cc(C(C)(C)C)c2)c1.Cc1ccccc1-c1ccc(C(C)(C)C)cc1-c1c2c(c(-c3cc(C(C)(C)C)ccc3-c3ccccc3C)c3cc4ccccc4cc13)-c1cc3ccccc3c3cccc-2c13.c1ccc(-c2ccc(-c3c4c(c(-c5ccc(-c6ccccc6)cc5)c5cc6ccccc6cc35)-c3cc5ccccc5c5cccc-4c35)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3c4c(c(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c5cc6ccccc6cc35)-c3cc5ccccc5c5cccc-4c35)c2)cc1.c1ccc(-c2ccccc2-c2c3c(c(-c4ccccc4-c4ccccc4)c4cc5ccccc5cc24)-c2cc4ccccc4c4cccc-3c24)cc1
InChIInChI=1S/C64H40.2C62H52.C60H48.2C52H32/c1-5-18-41(19-6-1)47-32-34-51(43-22-9-3-10-23-43)55(38-47)61-57-36-45-26-13-14-27-46(45)37-58(57)62(56-39-48(42-20-7-2-8-21-42)33-35-52(56)44-24-11-4-12-25-44)64-59-40-49-28-15-16-29-50(49)53-30-17-31-54(60(53)59)63(61)64;1-37-18-9-14-23-44(37)47-30-28-42(61(3,4)5)35-53(47)57-51-32-39-20-11-12-21-40(39)33-52(51)58(54-36-43(62(6,7)8)29-31-48(54)45-24-15-10-19-38(45)2)60-55-34-41-22-13-16-25-46(41)49-26-17-27-50(56(49)55)59(57)60;1-37-16-13-21-39(26-37)44-28-46(32-48(30-44)61(3,4)5)56-53-34-41-18-9-10-19-42(41)35-54(53)57(47-29-45(31-49(33-47)62(6,7)8)40-22-14-17-38(2)27-40)60-55-36-43-20-11-12-23-50(43)51-24-15-25-52(58(51)55)59(56)60;1-59(2,3)46-30-42(37-18-9-7-10-19-37)28-44(32-46)54-51-34-39-22-13-14-23-40(39)35-52(51)55(45-29-43(38-20-11-8-12-21-38)31-47(33-45)60(4,5)6)58-53-36-41-24-15-16-25-48(41)49-26-17-27-50(56(49)53)57(54)58;1-3-16-33(17-4-1)38-23-11-13-26-42(38)49-45-30-35-20-7-8-21-36(35)31-46(45)50(43-27-14-12-24-39(43)34-18-5-2-6-19-34)52-47-32-37-22-9-10-25-40(37)41-28-15-29-44(48(41)47)51(49)52;1-3-12-33(13-4-1)35-22-26-37(27-23-35)48-45-30-39-16-7-8-17-40(39)31-46(45)49(38-28-24-36(25-29-38)34-14-5-2-6-15-34)52-47-32-41-18-9-10-19-42(41)43-20-11-21-44(50(43)47)51(48)52/h1-40H;2*9-36H,1-8H3;7-36H,1-6H3;2*1-32H
InChIKeyIRGAJBBDCADYSD-UHFFFAOYSA-N
XLogP100.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms352
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004485.92
LogP ≤ 5100.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene with MolForge

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Related Compounds

3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene
CID 161015590
7,25-bis(2-methylphenyl)-14,36-diphenyldodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaene;7,25-diphenyl-14,36-bis(2-phenylphenyl)dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(40),2,4,6,8,10,12,14,16,18,20(41),21,23(42),24,26,28,30,32,34,36,38,43-docosaene;21-(2-methylphenyl)-7,10-diphenyl-28-(2-phenylphenyl)decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(32),2(36),3(15),4(12),5(35),6,8,10,13,16(33),17,19(34),20,22,24,26,28,30-octadecaene;21-(2-methylphenyl)-28-(2-phenylphenyl)decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(32),2(36),3(15),4(12),5(35),6,8,10,13,16(33),17,19(34),20,22,24,26,28,30-octadecaene;21-(3-methylphenyl)-28-(2-phenylphenyl)decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(32),2(36),3(15),4(12),5(35),6,8,10,13,16(33),17,19(34),20,22,24,26,28,30-octadecaene;21-phenyl-28-(2-phenylphenyl)decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(32),2(36),3(15),4(12),5(35),6,8,10,13,16(33),17,19(34),20,22,24,26,28,30-octadecaene;7,14,25,36-tetrakis(2-methylphenyl)dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38(42),39,43-docosaene;7,10,21-triphenyl-28-(2-phenylphenyl)decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(32),2(36),3(15),4(12),5(35),6,8,10,13,16(33),17,19(34),20,22,24,26,28,30-octadecaene
CID 160635554
9-(4-tert-butylphenyl)-2,3,6,7-tetramethyl-10-(3-phenylnaphthalen-2-yl)anthracene;9-(3,5-dimethylphenyl)-2,3,6,7-tetramethyl-10-(3-phenylnaphthalen-2-yl)anthracene;9-(3,5-diphenylphenyl)-2,3,6,7-tetramethyl-10-(3-phenylnaphthalen-2-yl)anthracene;2,3,6,7-tetramethyl-9-phenanthren-9-yl-10-(3-phenylnaphthalen-2-yl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 160742199
5-(2,5-diphenylphenyl)-12-phenyltetracene;5-(3,5-diphenylphenyl)-12-phenyltetracene;5-(2-phenylphenyl)-12-(3-phenylphenyl)tetracene;5-phenyl-12-(2-phenylphenyl)tetracene;5-phenyl-12-(3-phenylphenyl)tetracene
CID 158460442
24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene
CID 160900887
1-methyl-2-phenylbenzene;5-(2-phenylphenyl)-3,14-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(32),2,4,6,8,10,12,14,16(33),17,19(34),20,22,24,26,28,30-heptadecaene
CID 143938254
2-tert-butyl-9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene;9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 157283651
2-tert-butyl-9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2-tert-butyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;2-tert-butyl-9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-yl-2-phenylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene;9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 161266075
1-methyl-2-phenylbenzene;7-phenyl-25-(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;toluene
CID 143451499
3,10-bis(2-phenylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3,10-bis(3-phenylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3-(2-methylphenyl)-10-naphthalen-1-yloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3-(2-methylphenyl)-10-naphthalen-2-yloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene;3-naphthalen-1-yl-10-phenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene;3-naphthalen-2-yl-10-phenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene
CID 160845252
N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline
CID 145350869
5-[10-[3-[4-(5-tert-butyl-2-methoxyphenyl)-2,6-bis(2-methylphenyl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene;7-phenyl-4-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 159346659

Frequently Asked Questions

What is the IUPAC name of 3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene?
The IUPAC name of 3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene (CID 158782426) is 3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene.
What is the SMILES notation for 3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene?
The canonical SMILES for 3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene is CC(C)(C)c1cc(-c2ccccc2)cc(-c2c3c(c(-c4cc(-c5ccccc5)cc(C(C)(C)C)c4)c4cc5ccccc5cc24)-c2cc4ccccc4c4cccc-3c24)c1.Cc1cccc(-c2cc(-c3c4c(c(-c5cc(-c6cccc(C)c6)cc(C(C)(C)C)c5)c5cc6ccccc6cc35)-c3cc5ccccc5c5cccc-4c35)cc(C(C)(C)C)c2)c1.Cc1ccccc1-c1ccc(C(C)(C)C)cc1-c1c2c(c(-c3cc(C(C)(C)C)ccc3-c3ccccc3C)c3cc4ccccc4cc13)-c1cc3ccccc3c3cccc-2c13.c1ccc(-c2ccc(-c3c4c(c(-c5ccc(-c6ccccc6)cc5)c5cc6ccccc6cc35)-c3cc5ccccc5c5cccc-4c35)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3c4c(c(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c5cc6ccccc6cc35)-c3cc5ccccc5c5cccc-4c35)c2)cc1.c1ccc(-c2ccccc2-c2c3c(c(-c4ccccc4-c4ccccc4)c4cc5ccccc5cc24)-c2cc4ccccc4c4cccc-3c24)cc1.
What is the InChIKey of 3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene?
The InChIKey is IRGAJBBDCADYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40.2C62H52.C60H48.2C52H32/c1-5-18-41(19-6-1)47-32-34-51(43-22-9-3-10-23-43)55(38-47)61-57-36-45-26-13-14-27-46(45)37-58(57)62(56-39-48(42-20-7-2-8-21-42)33-35-52(56)44-24-11-4-12-25-44)64-59-40-49-28-15-16-29-50(49)53-30-17-31-54(60(53)59)63(61)64;1-37-18-9-14-23-44(37)47-30-28-42(61(3,4)5)35-53(47)57-51-32-39-20-11-12-21-40(39)33-52(51)58(54-36-43(62(6,7)8)29-31-48(54)45-24-15-10-19-38(45)2)60-55-34-41-22-13-16-25-46(41)49-26-17-27-50(56(49)55)59(57)60;1-37-16-13-21-39(26-37)44-28-46(32-48(30-44)61(3,4)5)56-53-34-41-18-9-10-19-42(41)35-54(53)57(47-29-45(31-49(33-47)62(6,7)8)40-22-14-17-38(2)27-40)60-55-36-43-20-11-12-23-50(43)51-24-15-25-52(58(51)55)59(56)60;1-59(2,3)46-30-42(37-18-9-7-10-19-37)28-44(32-46)54-51-34-39-22-13-14-23-40(39)35-52(51)55(45-29-43(38-20-11-8-12-21-38)31-47(33-45)60(4,5)6)58-53-36-41-24-15-16-25-48(41)49-26-17-27-50(56(49)53)57(54)58;1-3-16-33(17-4-1)38-23-11-13-26-42(38)49-45-30-35-20-7-8-21-36(35)31-46(45)50(43-27-14-12-24-39(43)34-18-5-2-6-19-34)52-47-32-37-22-9-10-25-40(37)41-28-15-29-44(48(41)47)51(49)52;1-3-12-33(13-4-1)35-22-26-37(27-23-35)48-45-30-39-16-7-8-17-40(39)31-46(45)49(38-28-24-36(25-29-38)34-14-5-2-6-15-34)52-47-32-41-18-9-10-19-42(41)43-20-11-21-44(50(43)47)51(48)52/h1-40H;2*9-36H,1-8H3;7-36H,1-6H3;2*1-32H.
What are the key properties of 3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene?
3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene has a molecular weight of 4485.92 g/mol, XLogP of 100.04, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene is sourced from PubChem (CID 158782426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).