5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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

C356H196 — CID 159229178

IUPAC5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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
SMILESc1ccc2c(c1)-c1cccc3c(-c4c5ccccc5c(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5cc6c(cc45)-c4cccc5c4c-6cc4ccccc45)ccc-2c13.c1ccc2c(c1)cc1c3c(cccc32)-c2cc3c(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccccc4c(-c4cc5ccc6cccc7ccc(c4)c5c67)c3cc2-1.c1ccc2c(c1)cc1c3c(cccc32)-c2cc3c(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc4c(-c4ccc5ccc6cccc7ccc4c5c67)c3cc2-1.c1ccc2c(c1)ccc1c(-c3c4ccccc4c(-c4cccc5c4ccc4ccccc45)c4cc5c(cc34)-c3cccc4c3c-5cc3ccccc34)cccc12.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc5c(ccc6ccccc65)c4)c4cc5c(cc34)-c3cccc4c3c-5cc3ccccc34)ccc12.c1ccc2cc3c(-c4c5ccccc5c(-c5c6ccccc6cc6cc7ccccc7cc56)c5cc6c(cc45)-c4cccc5c4c-6cc4ccccc45)c4ccccc4cc3cc2c1
InChIInChI=1S/C64H36.3C60H32.2C56H32/c1-3-16-39-32-53-44(28-37(39)14-1)30-41-18-6-9-22-47(41)61(53)63-50-24-11-12-25-51(50)64(62-48-23-10-7-19-42(48)31-45-29-38-15-2-4-17-40(38)33-54(45)62)59-36-56-55(35-58(59)63)52-27-13-26-49-46-21-8-5-20-43(46)34-57(56)60(49)52;1-2-13-34-33(12-1)30-53-52-32-55-54(31-51(52)46-25-9-20-39(34)58(46)53)59(49-28-26-47-37-16-5-3-14-35(37)40-21-10-23-44(49)56(40)47)42-18-7-8-19-43(42)60(55)50-29-27-48-38-17-6-4-15-36(38)41-22-11-24-45(50)57(41)48;1-2-13-40-39(8-1)30-51-50-32-53-52(31-49(50)44-17-7-16-41(40)58(44)51)59(47-28-24-37-20-18-33-9-5-11-35-22-26-45(47)56(37)54(33)35)42-14-3-4-15-43(42)60(53)48-29-25-38-21-19-34-10-6-12-36-23-27-46(48)57(38)55(34)36;1-2-13-44-37(8-1)30-51-50-32-53-52(31-49(50)48-17-7-16-45(44)60(48)51)58(42-26-38-22-18-33-9-5-10-34-19-23-39(27-42)56(38)54(33)34)46-14-3-4-15-47(46)59(53)43-28-40-24-20-35-11-6-12-36-21-25-41(29-43)57(40)55(35)36;1-4-15-36-33(12-1)26-28-41-39(36)20-9-23-44(41)55-46-18-7-8-19-47(46)56(45-24-10-21-40-37-16-5-2-13-34(37)27-29-42(40)45)53-32-50-49(31-52(53)55)48-25-11-22-43-38-17-6-3-14-35(38)30-51(50)54(43)48;1-4-13-40-33(10-1)20-22-36-28-38(24-26-43(36)40)54-46-16-7-8-17-47(46)55(39-25-27-44-37(29-39)23-21-34-11-2-5-14-41(34)44)53-32-50-49(31-52(53)54)48-19-9-18-45-42-15-6-3-12-35(42)30-51(50)56(45)48/h1-36H;3*1-32H;2*1-32H
InChIKeyKSRDWKGNQFFDKU-UHFFFAOYSA-N
MW4473.48 g/mol
LogP101.02
Rot. Bonds12

About 5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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

5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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 159229178) has the molecular formula C356H196 and a molecular weight of 4473.48 g/mol. Its IUPAC name is 5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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 Name5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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 CID159229178
Molecular FormulaC356H196
Molecular Weight4473.48 g/mol
Exact Mass4469.53
IUPAC Name5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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
SMILESc1ccc2c(c1)-c1cccc3c(-c4c5ccccc5c(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5cc6c(cc45)-c4cccc5c4c-6cc4ccccc45)ccc-2c13.c1ccc2c(c1)cc1c3c(cccc32)-c2cc3c(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccccc4c(-c4cc5ccc6cccc7ccc(c4)c5c67)c3cc2-1.c1ccc2c(c1)cc1c3c(cccc32)-c2cc3c(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc4c(-c4ccc5ccc6cccc7ccc4c5c67)c3cc2-1.c1ccc2c(c1)ccc1c(-c3c4ccccc4c(-c4cccc5c4ccc4ccccc45)c4cc5c(cc34)-c3cccc4c3c-5cc3ccccc34)cccc12.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc5c(ccc6ccccc65)c4)c4cc5c(cc34)-c3cccc4c3c-5cc3ccccc34)ccc12.c1ccc2cc3c(-c4c5ccccc5c(-c5c6ccccc6cc6cc7ccccc7cc56)c5cc6c(cc45)-c4cccc5c4c-6cc4ccccc45)c4ccccc4cc3cc2c1
InChIInChI=1S/C64H36.3C60H32.2C56H32/c1-3-16-39-32-53-44(28-37(39)14-1)30-41-18-6-9-22-47(41)61(53)63-50-24-11-12-25-51(50)64(62-48-23-10-7-19-42(48)31-45-29-38-15-2-4-17-40(38)33-54(45)62)59-36-56-55(35-58(59)63)52-27-13-26-49-46-21-8-5-20-43(46)34-57(56)60(49)52;1-2-13-34-33(12-1)30-53-52-32-55-54(31-51(52)46-25-9-20-39(34)58(46)53)59(49-28-26-47-37-16-5-3-14-35(37)40-21-10-23-44(49)56(40)47)42-18-7-8-19-43(42)60(55)50-29-27-48-38-17-6-4-15-36(38)41-22-11-24-45(50)57(41)48;1-2-13-40-39(8-1)30-51-50-32-53-52(31-49(50)44-17-7-16-41(40)58(44)51)59(47-28-24-37-20-18-33-9-5-11-35-22-26-45(47)56(37)54(33)35)42-14-3-4-15-43(42)60(53)48-29-25-38-21-19-34-10-6-12-36-23-27-46(48)57(38)55(34)36;1-2-13-44-37(8-1)30-51-50-32-53-52(31-49(50)48-17-7-16-45(44)60(48)51)58(42-26-38-22-18-33-9-5-10-34-19-23-39(27-42)56(38)54(33)34)46-14-3-4-15-47(46)59(53)43-28-40-24-20-35-11-6-12-36-21-25-41(29-43)57(40)55(35)36;1-4-15-36-33(12-1)26-28-41-39(36)20-9-23-44(41)55-46-18-7-8-19-47(46)56(45-24-10-21-40-37-16-5-2-13-34(37)27-29-42(40)45)53-32-50-49(31-52(53)55)48-25-11-22-43-38-17-6-3-14-35(38)30-51(50)54(43)48;1-4-13-40-33(10-1)20-22-36-28-38(24-26-43(36)40)54-46-16-7-8-17-47(46)55(39-25-27-44-37(29-39)23-21-34-11-2-5-14-41(34)44)53-32-50-49(31-52(53)54)48-19-9-18-45-42-15-6-3-12-35(42)30-51(50)56(45)48/h1-36H;3*1-32H;2*1-32H
InChIKeyKSRDWKGNQFFDKU-UHFFFAOYSA-N
XLogP101.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms356
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004473.48
LogP ≤ 5101.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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

5,12-di(pyren-2-yl)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 58479702
9,10-dinaphthalen-1-yl-2-phenanthren-9-ylanthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene;1-(2-phenanthren-9-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 160675826
benzo[a]pyrene;benzo[k]fluoranthene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;naphtho[1,2-b]phenanthrene;pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 172768379
9,10-dinaphthalen-1-ylanthracene;4-(10-naphthalen-1-ylanthracen-9-yl)pyrene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;4-(10-phenylanthracen-9-yl)pyrene
CID 157157236
hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9(24),10,12,14(23),15,17,19,21-dodecaene;hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene;hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene;pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene;triphenylene
CID 159976074
3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene
CID 58323557
1-(2-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)pyrene
CID 58322883
7-phenanthren-2-yl-12-pyren-1-ylbenzo[a]anthracene
CID 59575215
10-phenyl-7-pyren-1-ylbenzo[a]anthracene
CID 177078596
7-[3-(7-decacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaenyl)fluoranthen-8-yl]decacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene;3,8-di(anthracen-9-yl)fluoranthene;3,8-di(fluoranthen-3-yl)fluoranthene;1-(4-perylen-1-ylfluoranthen-8-yl)perylene;1-(3-triphenylen-1-ylfluoranthen-8-yl)triphenylene
CID 159111405
16-benzo[a]anthracen-7-ylhexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene
CID 167413015
benzo[a]pyrene;hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;naphtho[1,2-b]phenanthrene
CID 165012691

Frequently Asked Questions

What is the IUPAC name of 5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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 5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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 159229178) is 5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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 5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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 5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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 c1ccc2c(c1)-c1cccc3c(-c4c5ccccc5c(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5cc6c(cc45)-c4cccc5c4c-6cc4ccccc45)ccc-2c13.c1ccc2c(c1)cc1c3c(cccc32)-c2cc3c(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccccc4c(-c4cc5ccc6cccc7ccc(c4)c5c67)c3cc2-1.c1ccc2c(c1)cc1c3c(cccc32)-c2cc3c(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc4c(-c4ccc5ccc6cccc7ccc4c5c67)c3cc2-1.c1ccc2c(c1)ccc1c(-c3c4ccccc4c(-c4cccc5c4ccc4ccccc45)c4cc5c(cc34)-c3cccc4c3c-5cc3ccccc34)cccc12.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc5c(ccc6ccccc65)c4)c4cc5c(cc34)-c3cccc4c3c-5cc3ccccc34)ccc12.c1ccc2cc3c(-c4c5ccccc5c(-c5c6ccccc6cc6cc7ccccc7cc56)c5cc6c(cc45)-c4cccc5c4c-6cc4ccccc45)c4ccccc4cc3cc2c1.
What is the InChIKey of 5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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 KSRDWKGNQFFDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36.3C60H32.2C56H32/c1-3-16-39-32-53-44(28-37(39)14-1)30-41-18-6-9-22-47(41)61(53)63-50-24-11-12-25-51(50)64(62-48-23-10-7-19-42(48)31-45-29-38-15-2-4-17-40(38)33-54(45)62)59-36-56-55(35-58(59)63)52-27-13-26-49-46-21-8-5-20-43(46)34-57(56)60(49)52;1-2-13-34-33(12-1)30-53-52-32-55-54(31-51(52)46-25-9-20-39(34)58(46)53)59(49-28-26-47-37-16-5-3-14-35(37)40-21-10-23-44(49)56(40)47)42-18-7-8-19-43(42)60(55)50-29-27-48-38-17-6-4-15-36(38)41-22-11-24-45(50)57(41)48;1-2-13-40-39(8-1)30-51-50-32-53-52(31-49(50)44-17-7-16-41(40)58(44)51)59(47-28-24-37-20-18-33-9-5-11-35-22-26-45(47)56(37)54(33)35)42-14-3-4-15-43(42)60(53)48-29-25-38-21-19-34-10-6-12-36-23-27-46(48)57(38)55(34)36;1-2-13-44-37(8-1)30-51-50-32-53-52(31-49(50)48-17-7-16-45(44)60(48)51)58(42-26-38-22-18-33-9-5-10-34-19-23-39(27-42)56(38)54(33)34)46-14-3-4-15-47(46)59(53)43-28-40-24-20-35-11-6-12-36-21-25-41(29-43)57(40)55(35)36;1-4-15-36-33(12-1)26-28-41-39(36)20-9-23-44(41)55-46-18-7-8-19-47(46)56(45-24-10-21-40-37-16-5-2-13-34(37)27-29-42(40)45)53-32-50-49(31-52(53)55)48-25-11-22-43-38-17-6-3-14-35(38)30-51(50)54(43)48;1-4-13-40-33(10-1)20-22-36-28-38(24-26-43(36)40)54-46-16-7-8-17-47(46)55(39-25-27-44-37(29-39)23-21-34-11-2-5-14-41(34)44)53-32-50-49(31-52(53)54)48-19-9-18-45-42-15-6-3-12-35(42)30-51(50)56(45)48/h1-36H;3*1-32H;2*1-32H.
What are the key properties of 5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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?
5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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 4473.48 g/mol, XLogP of 101.02, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-di(fluoranthen-3-yl)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;5,12-di(phenanthren-1-yl)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;5,12-di(phenanthren-2-yl)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;5,12-di(pyren-1-yl)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;5,12-di(pyren-2-yl)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;5,12-di(tetracen-5-yl)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 159229178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).