15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

C361H209N7 — CID 158001711

IUPAC15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESCC(C)(C)c1ccc(-n2c3cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)cc4ccc5cc(-c6ccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc6)cc2c5c43)cc1.[2H]c1c([2H])c([2H])c(-n2c3cc(-c4ccc5ccc6cccc7ccc4c5c67)cc4ccc5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc2c5c43)c([2H])c1[2H].c1cc2ccc3cc(-n4c5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc6ccc7cc(-c8ccc9ccc%10cccc%11ccc8c9c%10%11)cc4c7c65)cc4ccc(c1)c2c34.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4cc(-c5ccc6ccc7cccc8ccc5c6c78)cc5ccc6cc(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc3c6c54)c2)cc1.c1ccc(-n2c3cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)cc4ccc5cc(-c6ccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc6)cc2c5c43)cc1.c1cncc(-n2c3cc(-c4ccc5ccc6cccc7ccc4c5c67)cc4ccc5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc2c5c43)c1
InChIInChI=1S/C68H45N.2C64H37N.C62H33N.C52H29N.C51H28N2/c1-68(2,3)54-28-30-55(31-29-54)69-60-38-52(40-10-14-42(15-11-40)56-32-24-48-20-18-44-6-4-8-46-26-34-58(56)64(48)62(44)46)36-50-22-23-51-37-53(39-61(69)67(51)66(50)60)41-12-16-43(17-13-41)57-33-25-49-21-19-45-7-5-9-47-27-35-59(57)65(49)63(45)47;1-3-9-38(10-4-1)48-33-49(39-11-5-2-6-12-39)35-52(34-48)65-57-36-50(53-27-23-44-19-17-40-13-7-15-42-25-29-55(53)61(44)59(40)42)31-46-21-22-47-32-51(37-58(65)64(47)63(46)57)54-28-24-45-20-18-41-14-8-16-43-26-30-56(54)62(45)60(41)43;1-2-10-52(11-3-1)65-57-36-50(38-12-16-40(17-13-38)53-30-26-46-22-20-42-6-4-8-44-28-32-55(53)61(46)59(42)44)34-48-24-25-49-35-51(37-58(65)64(49)63(48)57)39-14-18-41(19-15-39)54-31-27-47-23-21-43-7-5-9-45-29-33-56(54)62(47)60(43)45;1-4-34-14-16-44-30-48(31-45-17-15-35(5-1)55(34)58(44)45)63-53-32-46(49-24-20-40-12-10-36-6-2-8-38-22-26-51(49)59(40)56(36)38)28-42-18-19-43-29-47(33-54(63)62(43)61(42)53)50-25-21-41-13-11-37-7-3-9-39-23-27-52(50)60(41)57(37)39;1-2-10-40(11-3-1)53-45-28-38(41-22-18-34-14-12-30-6-4-8-32-20-24-43(41)49(34)47(30)32)26-36-16-17-37-27-39(29-46(53)52(37)51(36)45)42-23-19-35-15-13-31-7-5-9-33-21-25-44(42)50(35)48(31)33;1-4-29-9-11-33-15-19-40(42-21-17-31(6-1)46(29)48(33)42)37-24-35-13-14-36-25-38(27-45-51(36)50(35)44(26-37)53(45)39-8-3-23-52-28-39)41-20-16-34-12-10-30-5-2-7-32-18-22-43(41)49(34)47(30)32/h4-39H,1-3H3;2*1-37H;1-33H;1-29H;1-28H/i;;;;1D,2D,3D,10D,11D;
InChIKeyFDURSUYKOKZAKP-AUWRGGPNSA-N
MW4649.72 g/mol
LogP100.61
Rot. Bonds24

About 15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene (PubChem CID 158001711) has the molecular formula C361H209N7 and a molecular weight of 4649.72 g/mol. Its IUPAC name is 15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene.

Molecular Properties

Compound Name15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
PubChem CID158001711
Molecular FormulaC361H209N7
Molecular Weight4649.72 g/mol
Exact Mass4645.69
IUPAC Name15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESCC(C)(C)c1ccc(-n2c3cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)cc4ccc5cc(-c6ccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc6)cc2c5c43)cc1.[2H]c1c([2H])c([2H])c(-n2c3cc(-c4ccc5ccc6cccc7ccc4c5c67)cc4ccc5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc2c5c43)c([2H])c1[2H].c1cc2ccc3cc(-n4c5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc6ccc7cc(-c8ccc9ccc%10cccc%11ccc8c9c%10%11)cc4c7c65)cc4ccc(c1)c2c34.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4cc(-c5ccc6ccc7cccc8ccc5c6c78)cc5ccc6cc(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc3c6c54)c2)cc1.c1ccc(-n2c3cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)cc4ccc5cc(-c6ccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc6)cc2c5c43)cc1.c1cncc(-n2c3cc(-c4ccc5ccc6cccc7ccc4c5c67)cc4ccc5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc2c5c43)c1
InChIInChI=1S/C68H45N.2C64H37N.C62H33N.C52H29N.C51H28N2/c1-68(2,3)54-28-30-55(31-29-54)69-60-38-52(40-10-14-42(15-11-40)56-32-24-48-20-18-44-6-4-8-46-26-34-58(56)64(48)62(44)46)36-50-22-23-51-37-53(39-61(69)67(51)66(50)60)41-12-16-43(17-13-41)57-33-25-49-21-19-45-7-5-9-47-27-35-59(57)65(49)63(45)47;1-3-9-38(10-4-1)48-33-49(39-11-5-2-6-12-39)35-52(34-48)65-57-36-50(53-27-23-44-19-17-40-13-7-15-42-25-29-55(53)61(44)59(40)42)31-46-21-22-47-32-51(37-58(65)64(47)63(46)57)54-28-24-45-20-18-41-14-8-16-43-26-30-56(54)62(45)60(41)43;1-2-10-52(11-3-1)65-57-36-50(38-12-16-40(17-13-38)53-30-26-46-22-20-42-6-4-8-44-28-32-55(53)61(46)59(42)44)34-48-24-25-49-35-51(37-58(65)64(49)63(48)57)39-14-18-41(19-15-39)54-31-27-47-23-21-43-7-5-9-45-29-33-56(54)62(47)60(43)45;1-4-34-14-16-44-30-48(31-45-17-15-35(5-1)55(34)58(44)45)63-53-32-46(49-24-20-40-12-10-36-6-2-8-38-22-26-51(49)59(40)56(36)38)28-42-18-19-43-29-47(33-54(63)62(43)61(42)53)50-25-21-41-13-11-37-7-3-9-39-23-27-52(50)60(41)57(37)39;1-2-10-40(11-3-1)53-45-28-38(41-22-18-34-14-12-30-6-4-8-32-20-24-43(41)49(34)47(30)32)26-36-16-17-37-27-39(29-46(53)52(37)51(36)45)42-23-19-35-15-13-31-7-5-9-33-21-25-44(42)50(35)48(31)33;1-4-29-9-11-33-15-19-40(42-21-17-31(6-1)46(29)48(33)42)37-24-35-13-14-36-25-38(27-45-51(36)50(35)44(26-37)53(45)39-8-3-23-52-28-39)41-20-16-34-12-10-30-5-2-7-32-18-22-43(41)49(34)47(30)32/h4-39H,1-3H3;2*1-37H;1-33H;1-29H;1-28H/i;;;;1D,2D,3D,10D,11D;
InChIKeyFDURSUYKOKZAKP-AUWRGGPNSA-N
XLogP100.61
TPSA42.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms368
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004649.72
LogP ≤ 5100.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The IUPAC name of 15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene (CID 158001711) is 15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene.
What is the SMILES notation for 15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The canonical SMILES for 15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene is CC(C)(C)c1ccc(-n2c3cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)cc4ccc5cc(-c6ccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc6)cc2c5c43)cc1.[2H]c1c([2H])c([2H])c(-n2c3cc(-c4ccc5ccc6cccc7ccc4c5c67)cc4ccc5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc2c5c43)c([2H])c1[2H].c1cc2ccc3cc(-n4c5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc6ccc7cc(-c8ccc9ccc%10cccc%11ccc8c9c%10%11)cc4c7c65)cc4ccc(c1)c2c34.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4cc(-c5ccc6ccc7cccc8ccc5c6c78)cc5ccc6cc(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc3c6c54)c2)cc1.c1ccc(-n2c3cc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)cc4ccc5cc(-c6ccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc6)cc2c5c43)cc1.c1cncc(-n2c3cc(-c4ccc5ccc6cccc7ccc4c5c67)cc4ccc5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc2c5c43)c1.
What is the InChIKey of 15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The InChIKey is FDURSUYKOKZAKP-AUWRGGPNSA-N. The full InChI is InChI=1S/C68H45N.2C64H37N.C62H33N.C52H29N.C51H28N2/c1-68(2,3)54-28-30-55(31-29-54)69-60-38-52(40-10-14-42(15-11-40)56-32-24-48-20-18-44-6-4-8-46-26-34-58(56)64(48)62(44)46)36-50-22-23-51-37-53(39-61(69)67(51)66(50)60)41-12-16-43(17-13-41)57-33-25-49-21-19-45-7-5-9-47-27-35-59(57)65(49)63(45)47;1-3-9-38(10-4-1)48-33-49(39-11-5-2-6-12-39)35-52(34-48)65-57-36-50(53-27-23-44-19-17-40-13-7-15-42-25-29-55(53)61(44)59(40)42)31-46-21-22-47-32-51(37-58(65)64(47)63(46)57)54-28-24-45-20-18-41-14-8-16-43-26-30-56(54)62(45)60(41)43;1-2-10-52(11-3-1)65-57-36-50(38-12-16-40(17-13-38)53-30-26-46-22-20-42-6-4-8-44-28-32-55(53)61(46)59(42)44)34-48-24-25-49-35-51(37-58(65)64(49)63(48)57)39-14-18-41(19-15-39)54-31-27-47-23-21-43-7-5-9-45-29-33-56(54)62(47)60(43)45;1-4-34-14-16-44-30-48(31-45-17-15-35(5-1)55(34)58(44)45)63-53-32-46(49-24-20-40-12-10-36-6-2-8-38-22-26-51(49)59(40)56(36)38)28-42-18-19-43-29-47(33-54(63)62(43)61(42)53)50-25-21-41-13-11-37-7-3-9-39-23-27-52(50)60(41)57(37)39;1-2-10-40(11-3-1)53-45-28-38(41-22-18-34-14-12-30-6-4-8-32-20-24-43(41)49(34)47(30)32)26-36-16-17-37-27-39(29-46(53)52(37)51(36)45)42-23-19-35-15-13-31-7-5-9-33-21-25-44(42)50(35)48(31)33;1-4-29-9-11-33-15-19-40(42-21-17-31(6-1)46(29)48(33)42)37-24-35-13-14-36-25-38(27-45-51(36)50(35)44(26-37)53(45)39-8-3-23-52-28-39)41-20-16-34-12-10-30-5-2-7-32-18-22-43(41)49(34)47(30)32/h4-39H,1-3H3;2*1-37H;1-33H;1-29H;1-28H/i;;;;1D,2D,3D,10D,11D;.
What are the key properties of 15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene has a molecular weight of 4649.72 g/mol, XLogP of 100.61, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-tert-butylphenyl)-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(3,5-diphenylphenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyren-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;3,10-di(pyren-1-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-(2,3,4,5,6-pentadeuteriophenyl)-3,10-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-3,10-bis(4-pyren-1-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 158001711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).