3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole

C264H178N10 — CID 159239519

About 3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole

3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole (PubChem CID 159239519) has the molecular formula C264H178N10 and a molecular weight of 3490.40 g/mol. Its IUPAC name is 3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole.

Molecular Properties

• Compound Name: 3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole
• PubChem CID: 159239519
• Molecular Formula: C264H178N10
• Molecular Weight: 3490.40 g/mol
• Exact Mass: 3487.42
• IUPAC Name: 3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole
• SMILES: CCn1c2ccccc2c2cc(-c3cc4c5c(ccc6cc(-c7ccc8c(c7)c7ccccc7n8CC)cc(c65)C4(c4ccccc4)c4ccccc4)c3)ccc21.CCn1c2ccccc2c2cc(/C=C/c3cc4c5c(ccc6cc(/C=C/c7ccc8c(c7)c7ccccc7n8CC)cc(c65)C4(c4ccccc4)c4ccccc4)c3)ccc21.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6c(ccc7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc(c76)C5(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6c(ccc7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc(c76)C5(c5ccccc5)c5ccccc5)c4)ccc32)cc1
• InChI: InChI=1S/C87H54N4.C63H40N2.C59H44N2.C55H40N2/c1-3-19-63(20-4-1)88-81-33-17-11-27-71(81)73-51-55(37-47-83(73)88)59-49-57-35-36-58-50-60(56-38-48-84-74(52-56)72-28-12-18-34-82(72)89(84)64-21-5-2-6-22-64)54-76-86(58)85(57)75(53-59)87(76,61-39-43-65(44-40-61)90-77-29-13-7-23-67(77)68-24-8-14-30-78(68)90)62-41-45-66(46-42-62)91-79-31-15-9-25-69(79)70-26-10-16-32-80(70)91;1-5-17-47(18-6-1)63(48-19-7-2-8-20-48)55-39-45(41-31-33-59-53(37-41)51-25-13-15-27-57(51)64(59)49-21-9-3-10-22-49)35-43-29-30-44-36-46(40-56(63)62(44)61(43)55)42-32-34-60-54(38-42)52-26-14-16-28-58(52)65(60)50-23-11-4-12-24-50;1-3-60-53-21-13-11-19-47(53)49-35-39(27-31-55(49)60)23-25-41-33-43-29-30-44-34-42(26-24-40-28-32-56-50(36-40)48-20-12-14-22-54(48)61(56)4-2)38-52-58(44)57(43)51(37-41)59(52,45-15-7-5-8-16-45)46-17-9-6-10-18-46;1-3-56-49-21-13-11-19-43(49)45-31-35(25-27-51(45)56)39-29-37-23-24-38-30-40(36-26-28-52-46(32-36)44-20-12-14-22-50(44)57(52)4-2)34-48-54(38)53(37)47(33-39)55(48,41-15-7-5-8-16-41)42-17-9-6-10-18-42/h1-54H;1-40H;5-38H,3-4H2,1-2H3;5-34H,3-4H2,1-2H3/b;;25-23+,26-24+
• InChIKey: KTWZTUNTEBMGKT-VYDQISNYSA-N
• XLogP: 68.19
• TPSA: 49.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 28
• Heavy Atoms: 274
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3490.40
LogP ≤ 5	68.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole?

The IUPAC name of 3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole (CID 159239519) is 3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole.

What is the SMILES notation for 3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole?

The canonical SMILES for 3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole is CCn1c2ccccc2c2cc(-c3cc4c5c(ccc6cc(-c7ccc8c(c7)c7ccccc7n8CC)cc(c65)C4(c4ccccc4)c4ccccc4)c3)ccc21.CCn1c2ccccc2c2cc(/C=C/c3cc4c5c(ccc6cc(/C=C/c7ccc8c(c7)c7ccccc7n8CC)cc(c65)C4(c4ccccc4)c4ccccc4)c3)ccc21.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6c(ccc7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc(c76)C5(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6c(ccc7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc(c76)C5(c5ccccc5)c5ccccc5)c4)ccc32)cc1.

What is the InChIKey of 3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole?

The InChIKey is KTWZTUNTEBMGKT-VYDQISNYSA-N. The full InChI is InChI=1S/C87H54N4.C63H40N2.C59H44N2.C55H40N2/c1-3-19-63(20-4-1)88-81-33-17-11-27-71(81)73-51-55(37-47-83(73)88)59-49-57-35-36-58-50-60(56-38-48-84-74(52-56)72-28-12-18-34-82(72)89(84)64-21-5-2-6-22-64)54-76-86(58)85(57)75(53-59)87(76,61-39-43-65(44-40-61)90-77-29-13-7-23-67(77)68-24-8-14-30-78(68)90)62-41-45-66(46-42-62)91-79-31-15-9-25-69(79)70-26-10-16-32-80(70)91;1-5-17-47(18-6-1)63(48-19-7-2-8-20-48)55-39-45(41-31-33-59-53(37-41)51-25-13-15-27-57(51)64(59)49-21-9-3-10-22-49)35-43-29-30-44-36-46(40-56(63)62(44)61(43)55)42-32-34-60-54(38-42)52-26-14-16-28-58(52)65(60)50-23-11-4-12-24-50;1-3-60-53-21-13-11-19-47(53)49-35-39(27-31-55(49)60)23-25-41-33-43-29-30-44-34-42(26-24-40-28-32-56-50(36-40)48-20-12-14-22-54(48)61(56)4-2)38-52-58(44)57(43)51(37-41)59(52,45-15-7-5-8-16-45)46-17-9-6-10-18-46;1-3-56-49-21-13-11-19-43(49)45-31-35(25-27-51(45)56)39-29-37-23-24-38-30-40(36-26-28-52-46(32-36)44-20-12-14-22-50(44)57(52)4-2)34-48-54(38)53(37)47(33-39)55(48,41-15-7-5-8-16-41)42-17-9-6-10-18-42/h1-54H;1-40H;5-38H,3-4H2,1-2H3;5-34H,3-4H2,1-2H3/b;;25-23+,26-24+;.

What are the key properties of 3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole?

3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole has a molecular weight of 3490.40 g/mol, XLogP of 68.19, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole is sourced from PubChem (CID 159239519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).