3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole

C96H60N6 — CID 137420846

IUPAC3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c%11ccccc%11n(-c%11ccc(-n%12c%13ccccc%13c%13cc(-c%14ccc%15c%16ccccc%16n(-c%16ccccc%16)c%15c%14)ccc%13%12)cc%11)c%10c9)ccc87)cc6)c5c4)ccc32)cc1
InChIInChI=1S/C96H60N6/c1-3-19-67(20-4-1)97-88-32-16-10-26-76(88)82-55-61(38-52-91(82)97)65-36-50-80-74-24-8-14-30-86(74)101(95(80)59-65)71-45-43-70(44-46-71)99-90-34-18-12-28-78(90)84-57-63(40-54-93(84)99)66-37-51-81-75-25-9-15-31-87(75)102(96(81)60-66)72-47-41-69(42-48-72)98-89-33-17-11-27-77(89)83-56-62(39-53-92(83)98)64-35-49-79-73-23-7-13-29-85(73)100(94(79)58-64)68-21-5-2-6-22-68/h1-60H
InChIKeyXJEDHIBRFPXFKP-UHFFFAOYSA-N
MW1297.58 g/mol
LogP25.27
Rot. Bonds9

About 3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole

3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole (PubChem CID 137420846) has the molecular formula C96H60N6 and a molecular weight of 1297.58 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
PubChem CID137420846
Molecular FormulaC96H60N6
Molecular Weight1297.58 g/mol
Exact Mass1296.49
IUPAC Name3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c%11ccccc%11n(-c%11ccc(-n%12c%13ccccc%13c%13cc(-c%14ccc%15c%16ccccc%16n(-c%16ccccc%16)c%15c%14)ccc%13%12)cc%11)c%10c9)ccc87)cc6)c5c4)ccc32)cc1
InChIInChI=1S/C96H60N6/c1-3-19-67(20-4-1)97-88-32-16-10-26-76(88)82-55-61(38-52-91(82)97)65-36-50-80-74-24-8-14-30-86(74)101(95(80)59-65)71-45-43-70(44-46-71)99-90-34-18-12-28-78(90)84-57-63(40-54-93(84)99)66-37-51-81-75-25-9-15-31-87(75)102(96(81)60-66)72-47-41-69(42-48-72)98-89-33-17-11-27-77(89)83-56-62(39-53-92(83)98)64-35-49-79-73-23-7-13-29-85(73)100(94(79)58-64)68-21-5-2-6-22-68/h1-60H
InChIKeyXJEDHIBRFPXFKP-UHFFFAOYSA-N
XLogP25.27
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001297.58
LogP ≤ 525.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole?
The IUPAC name of 3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole (CID 137420846) is 3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c%11ccccc%11n(-c%11ccc(-n%12c%13ccccc%13c%13cc(-c%14ccc%15c%16ccccc%16n(-c%16ccccc%16)c%15c%14)ccc%13%12)cc%11)c%10c9)ccc87)cc6)c5c4)ccc32)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole?
The InChIKey is XJEDHIBRFPXFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H60N6/c1-3-19-67(20-4-1)97-88-32-16-10-26-76(88)82-55-61(38-52-91(82)97)65-36-50-80-74-24-8-14-30-86(74)101(95(80)59-65)71-45-43-70(44-46-71)99-90-34-18-12-28-78(90)84-57-63(40-54-93(84)99)66-37-51-81-75-25-9-15-31-87(75)102(96(81)60-66)72-47-41-69(42-48-72)98-89-33-17-11-27-77(89)83-56-62(39-53-92(83)98)64-35-49-79-73-23-7-13-29-85(73)100(94(79)58-64)68-21-5-2-6-22-68/h1-60H.
What are the key properties of 3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole?
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole has a molecular weight of 1297.58 g/mol, XLogP of 25.27, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole is sourced from PubChem (CID 137420846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).