2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole

C48H32N2 — CID 142315018

IUPAC2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccccc2-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc32)cc1
InChIInChI=1S/C48H32N2/c1-3-15-33(16-4-1)37-19-7-8-20-38(37)39-21-9-13-25-45(39)50-46-26-14-11-23-41(46)43-30-28-35(32-48(43)50)34-27-29-42-40-22-10-12-24-44(40)49(47(42)31-34)36-17-5-2-6-18-36/h1-32H
InChIKeyUOUAVTCFDQIYBA-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.88
Rot. Bonds5

About 2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole

2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole (PubChem CID 142315018) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole
PubChem CID142315018
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccccc2-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc32)cc1
InChIInChI=1S/C48H32N2/c1-3-15-33(16-4-1)37-19-7-8-20-38(37)39-21-9-13-25-45(39)50-46-26-14-11-23-41(46)43-30-28-35(32-48(43)50)34-27-29-42-40-22-10-12-24-44(40)49(47(42)31-34)36-17-5-2-6-18-36/h1-32H
InChIKeyUOUAVTCFDQIYBA-UHFFFAOYSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole?
The IUPAC name of 2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole (CID 142315018) is 2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole is c1ccc(-c2ccccc2-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc32)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole?
The InChIKey is UOUAVTCFDQIYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-15-33(16-4-1)37-19-7-8-20-38(37)39-21-9-13-25-45(39)50-46-26-14-11-23-41(46)43-30-28-35(32-48(43)50)34-27-29-42-40-22-10-12-24-44(40)49(47(42)31-34)36-17-5-2-6-18-36/h1-32H.
What are the key properties of 2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole?
2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole has a molecular weight of 636.80 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 142315018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).