7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole

C106H61N5S — CID 130330874

About 7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole

7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole (PubChem CID 130330874) has the molecular formula C106H61N5S and a molecular weight of 1436.76 g/mol. Its IUPAC name is 7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole
• PubChem CID: 130330874
• Molecular Formula: C106H61N5S
• Molecular Weight: 1436.76 g/mol
• Exact Mass: 1435.46
• IUPAC Name: 7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole
• SMILES: c1ccc(-n2c3ccc(-c4cccc(-c5ncc6cccc7c6c5-c5ccc(-c6ccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10c%12ccccc%12ccc%10n%11-c%10cccc(-c%11ncc%12cccc%13c%12c%11-c%11ccccc%11-%13)c%10)ccc98)cc6)cc5-7)c4)cc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1
• InChI: InChI=1S/C106H61N5S/c1-2-22-75(23-3-1)109-94-47-38-66(56-88(94)89-57-68(40-48-95(89)109)70-42-51-99-90(58-70)81-28-9-11-33-98(81)112-99)64-17-12-18-71(52-64)105-104-85-45-36-65(54-86(85)84-31-15-21-74(61-107-105)101(84)104)62-34-43-76(44-35-62)110-92-32-10-8-27-80(92)87-55-67(39-46-93(87)110)69-41-49-96-91(59-69)102-78-25-5-4-16-63(78)37-50-97(102)111(96)77-24-13-19-72(53-77)106-103-83-29-7-6-26-79(83)82-30-14-20-73(60-108-106)100(82)103/h1-61H
• InChIKey: LVFMCZDVFHVBJK-UHFFFAOYSA-N
• XLogP: 28.89
• TPSA: 40.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1436.76
LogP ≤ 5	28.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole?

The IUPAC name of 7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole (CID 130330874) is 7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole.

What is the SMILES notation for 7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole?

The canonical SMILES for 7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole is c1ccc(-n2c3ccc(-c4cccc(-c5ncc6cccc7c6c5-c5ccc(-c6ccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10c%12ccccc%12ccc%10n%11-c%10cccc(-c%11ncc%12cccc%13c%12c%11-c%11ccccc%11-%13)c%10)ccc98)cc6)cc5-7)c4)cc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1.

What is the InChIKey of 7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole?

The InChIKey is LVFMCZDVFHVBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H61N5S/c1-2-22-75(23-3-1)109-94-47-38-66(56-88(94)89-57-68(40-48-95(89)109)70-42-51-99-90(58-70)81-28-9-11-33-98(81)112-99)64-17-12-18-71(52-64)105-104-85-45-36-65(54-86(85)84-31-15-21-74(61-107-105)101(84)104)62-34-43-76(44-35-62)110-92-32-10-8-27-80(92)87-55-67(39-46-93(87)110)69-41-49-96-91(59-69)102-78-25-5-4-16-63(78)37-50-97(102)111(96)77-24-13-19-72(53-77)106-103-83-29-7-6-26-79(83)82-30-14-20-73(60-108-106)100(82)103/h1-61H.

What are the key properties of 7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole?

7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole has a molecular weight of 1436.76 g/mol, XLogP of 28.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]-10-[9-[4-[2-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl]phenyl]carbazol-3-yl]benzo[c]carbazole is sourced from PubChem (CID 130330874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).