2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole

C35H22N2O — CID 59227934

IUPAC2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)cccc2c1
InChIInChI=1S/C35H22N2O/c1-2-10-27-23(8-1)9-7-12-28(27)24-16-19-26(20-17-24)37-32-14-5-3-11-29(32)30-22-25(18-21-33(30)37)35-36-31-13-4-6-15-34(31)38-35/h1-22H
InChIKeyFVIMUYIBTRFNME-UHFFFAOYSA-N
MW486.57 g/mol
LogP9.41
Rot. Bonds3

About 2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole

2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole (PubChem CID 59227934) has the molecular formula C35H22N2O and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
PubChem CID59227934
Molecular FormulaC35H22N2O
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)cccc2c1
InChIInChI=1S/C35H22N2O/c1-2-10-27-23(8-1)9-7-12-28(27)24-16-19-26(20-17-24)37-32-14-5-3-11-29(32)30-22-25(18-21-33(30)37)35-36-31-13-4-6-15-34(31)38-35/h1-22H
InChIKeyFVIMUYIBTRFNME-UHFFFAOYSA-N
XLogP9.41
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole 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

2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
2-[4-[2-[2-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228443
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
N-[4-(1,3-benzoxazol-2-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-3-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-3-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 160958614
2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228018
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole (CID 59227934) is 2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole is c1ccc2c(-c3ccc(-n4c5ccccc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)cccc2c1.
What is the InChIKey of 2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The InChIKey is FVIMUYIBTRFNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2O/c1-2-10-27-23(8-1)9-7-12-28(27)24-16-19-26(20-17-24)37-32-14-5-3-11-29(32)30-22-25(18-21-33(30)37)35-36-31-13-4-6-15-34(31)38-35/h1-22H.
What are the key properties of 2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole?
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 486.57 g/mol, XLogP of 9.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 59227934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).