9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole

C113H80N8O — CID 129259894

About 9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole

9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole (PubChem CID 129259894) has the molecular formula C113H80N8O and a molecular weight of 1565.94 g/mol. Its IUPAC name is 9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole
• PubChem CID: 129259894
• Molecular Formula: C113H80N8O
• Molecular Weight: 1565.94 g/mol
• Exact Mass: 1564.65
• IUPAC Name: 9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole
• SMILES: CC1CC(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CCC(c3ccc(-n4c5ccccc5c5ccccc54)cc3)(c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6cnccc6n7-c6ccc(Oc7ccc(-n8c9ccccc9c9cnccc98)cc7)cc6)ccc54)cc3)CC2)=CC=C1n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C113H80N8O/c1-73-69-78(44-60-98(73)121-105-34-16-6-23-91(105)92-24-7-17-35-106(92)121)113(77-42-49-80(50-43-77)117-101-30-12-4-21-89(101)90-22-5-13-31-102(90)117)65-63-112(64-66-113,75-38-45-79(46-39-75)116-99-28-10-2-19-87(99)88-20-3-11-29-100(88)116)76-40-47-81(48-41-76)118-103-32-14-8-25-93(103)95-70-74(37-59-107(95)118)86-27-18-36-110-111(86)97-72-115-68-62-109(97)120(110)83-53-57-85(58-54-83)122-84-55-51-82(52-56-84)119-104-33-15-9-26-94(104)96-71-114-67-61-108(96)119/h2-62,67-68,70-73H,63-66,69H2,1H3
• InChIKey: PBJCRMWEDWWUHT-UHFFFAOYSA-N
• XLogP: 28.83
• TPSA: 64.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1565.94
LogP ≤ 5	28.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole?

The IUPAC name of 9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole (CID 129259894) is 9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole.

What is the SMILES notation for 9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole?

The canonical SMILES for 9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole is CC1CC(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CCC(c3ccc(-n4c5ccccc5c5ccccc54)cc3)(c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6cnccc6n7-c6ccc(Oc7ccc(-n8c9ccccc9c9cnccc98)cc7)cc6)ccc54)cc3)CC2)=CC=C1n1c2ccccc2c2ccccc21.

What is the InChIKey of 9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole?

The InChIKey is PBJCRMWEDWWUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C113H80N8O/c1-73-69-78(44-60-98(73)121-105-34-16-6-23-91(105)92-24-7-17-35-106(92)121)113(77-42-49-80(50-43-77)117-101-30-12-4-21-89(101)90-22-5-13-31-102(90)117)65-63-112(64-66-113,75-38-45-79(46-39-75)116-99-28-10-2-19-87(99)88-20-3-11-29-100(88)116)76-40-47-81(48-41-76)118-103-32-14-8-25-93(103)95-70-74(37-59-107(95)118)86-27-18-36-110-111(86)97-72-115-68-62-109(97)120(110)83-53-57-85(58-54-83)122-84-55-51-82(52-56-84)119-104-33-15-9-26-94(104)96-71-114-67-61-108(96)119/h2-62,67-68,70-73H,63-66,69H2,1H3.

What are the key properties of 9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole?

9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole has a molecular weight of 1565.94 g/mol, XLogP of 28.83, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-[4-[4-(4-carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 129259894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).