9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene

C189H158N4 — CID 159142969

About 9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene

9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene (PubChem CID 159142969) has the molecular formula C189H158N4 and a molecular weight of 2485.37 g/mol. Its IUPAC name is 9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene.

Molecular Properties

• Compound Name: 9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene
• PubChem CID: 159142969
• Molecular Formula: C189H158N4
• Molecular Weight: 2485.37 g/mol
• Exact Mass: 2483.25
• IUPAC Name: 9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene
• SMILES: C(=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1)\c1ccc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.CC(C)(C)c1ccc(-c2c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c3c(-c4ccc(C(C)(C)C)cc4)c4cc(C(C)(C)C)ccc4c(-c4ccccc4)c23)cc1.Cc1cc2c(c3ccccc13)-c1cc3c(cc1C2(C)C)-c1c(cc2ccc4cccc5ccc1c2c45)C3(C)C
• InChI: InChI=1S/C58H60.C46H32N2.C46H36N2.C39H30/c1-55(2,3)41-27-23-39(24-28-41)51-47-35-43(57(7,8)9)31-33-45(47)50(38-21-17-14-18-22-38)54-52(40-25-29-42(30-26-40)56(4,5)6)48-36-44(58(10,11)12)32-34-46(48)49(53(51)54)37-19-15-13-16-20-37;1-5-13-43-39(9-1)40-10-2-6-14-44(40)47(43)37-29-25-35(26-30-37)23-21-33-17-19-34(20-18-33)22-24-36-27-31-38(32-28-36)48-45-15-7-3-11-41(45)42-12-4-8-16-46(42)48;1-5-13-41(14-6-1)47(42-15-7-2-8-16-42)45-33-29-39(30-34-45)27-25-37-21-23-38(24-22-37)26-28-40-31-35-46(36-32-40)48(43-17-9-3-10-18-43)44-19-11-4-12-20-44;1-21-17-32-36(26-12-7-6-11-25(21)26)28-19-31-29(20-30(28)38(32,2)3)37-27-16-15-23-10-8-9-22-13-14-24(35(27)34(22)23)18-33(37)39(31,4)5/h13-36H,1-12H3;1-32H;1-36H;6-20H,1-5H3/b;23-21+,24-22+;27-25+,28-26+
• InChIKey: KIIAMGFRKIPXER-IIDNMJPRSA-N
• XLogP: 52.85
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2485.37
LogP ≤ 5	52.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene?

The IUPAC name of 9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene (CID 159142969) is 9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene.

What is the SMILES notation for 9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene?

The canonical SMILES for 9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene is C(=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1)\c1ccc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.CC(C)(C)c1ccc(-c2c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c3c(-c4ccc(C(C)(C)C)cc4)c4cc(C(C)(C)C)ccc4c(-c4ccccc4)c23)cc1.Cc1cc2c(c3ccccc13)-c1cc3c(cc1C2(C)C)-c1c(cc2ccc4cccc5ccc1c2c45)C3(C)C.

What is the InChIKey of 9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene?

The InChIKey is KIIAMGFRKIPXER-IIDNMJPRSA-N. The full InChI is InChI=1S/C58H60.C46H32N2.C46H36N2.C39H30/c1-55(2,3)41-27-23-39(24-28-41)51-47-35-43(57(7,8)9)31-33-45(47)50(38-21-17-14-18-22-38)54-52(40-25-29-42(30-26-40)56(4,5)6)48-36-44(58(10,11)12)32-34-46(48)49(53(51)54)37-19-15-13-16-20-37;1-5-13-43-39(9-1)40-10-2-6-14-44(40)47(43)37-29-25-35(26-30-37)23-21-33-17-19-34(20-18-33)22-24-36-27-31-38(32-28-36)48-45-15-7-3-11-41(45)42-12-4-8-16-46(42)48;1-5-13-41(14-6-1)47(42-15-7-2-8-16-42)45-33-29-39(30-34-45)27-25-37-21-23-38(24-22-37)26-28-40-31-35-46(36-32-40)48(43-17-9-3-10-18-43)44-19-11-4-12-20-44;1-21-17-32-36(26-12-7-6-11-25(21)26)28-19-31-29(20-30(28)38(32,2)3)37-27-16-15-23-10-8-9-22-13-14-24(35(27)34(22)23)18-33(37)39(31,4)5/h13-36H,1-12H3;1-32H;1-36H;6-20H,1-5H3/b;23-21+,24-22+;27-25+,28-26+;.

What are the key properties of 9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene?

9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene has a molecular weight of 2485.37 g/mol, XLogP of 52.85, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbazole;2,8-ditert-butyl-6,12-bis(4-tert-butylphenyl)-5,11-diphenyltetracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene is sourced from PubChem (CID 159142969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).