9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole

C110H64N6 — CID 130330919

About 9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole

9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole (PubChem CID 130330919) has the molecular formula C110H64N6 and a molecular weight of 1469.76 g/mol. Its IUPAC name is 9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole
• PubChem CID: 130330919
• Molecular Formula: C110H64N6
• Molecular Weight: 1469.76 g/mol
• Exact Mass: 1468.52
• IUPAC Name: 9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc7c8c(cccc8n6)-c6cc(-c8ccc9c%10cc%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12cccc(-c%13ncc%14c%15c(cccc%13%15)-c%13ccccc%13-%14)c%12)ccc%11cc%10n(-c%10ccccc%10)c9c8)ccc6-7)cc5)ccc4cc32)cc1
• InChI: InChI=1S/C110H64N6/c1-3-19-77(20-4-1)114-101-34-13-11-28-86(101)94-58-75-52-66(36-38-72(75)61-106(94)114)69-44-50-103-92(56-69)84-26-9-12-33-100(84)113(103)79-46-40-65(41-47-79)99-63-96-83-48-42-68(55-91(83)89-30-17-32-98(112-99)109(89)96)71-43-49-87-95-59-76-53-67(37-39-73(76)62-107(95)115(105(87)60-71)78-21-5-2-6-22-78)70-45-51-104-93(57-70)85-27-10-14-35-102(85)116(104)80-23-15-18-74(54-80)110-90-31-16-29-88-81-24-7-8-25-82(81)97(64-111-110)108(88)90/h1-64H
• InChIKey: MXOFOYYAFREYKK-UHFFFAOYSA-N
• XLogP: 29.11
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1469.76
LogP ≤ 5	29.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole?

The IUPAC name of 9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole (CID 130330919) is 9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole.

What is the SMILES notation for 9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole?

The canonical SMILES for 9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc7c8c(cccc8n6)-c6cc(-c8ccc9c%10cc%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12cccc(-c%13ncc%14c%15c(cccc%13%15)-c%13ccccc%13-%14)c%12)ccc%11cc%10n(-c%10ccccc%10)c9c8)ccc6-7)cc5)ccc4cc32)cc1.

What is the InChIKey of 9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole?

The InChIKey is MXOFOYYAFREYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H64N6/c1-3-19-77(20-4-1)114-101-34-13-11-28-86(101)94-58-75-52-66(36-38-72(75)61-106(94)114)69-44-50-103-92(56-69)84-26-9-12-33-100(84)113(103)79-46-40-65(41-47-79)99-63-96-83-48-42-68(55-91(83)89-30-17-32-98(112-99)109(89)96)71-43-49-87-95-59-76-53-67(37-39-73(76)62-107(95)115(105(87)60-71)78-21-5-2-6-22-78)70-45-51-104-93(57-70)85-27-10-14-35-102(85)116(104)80-23-15-18-74(54-80)110-90-31-16-29-88-81-24-7-8-25-82(81)97(64-111-110)108(88)90/h1-64H.

What are the key properties of 9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole?

9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole has a molecular weight of 1469.76 g/mol, XLogP of 29.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole is sourced from PubChem (CID 130330919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).