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

C41H26N2O — CID 59228230

IUPAC2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc6ccccc6o5)cc4)cc3)cccc2c1
InChIInChI=1S/C41H26N2O/c1-2-10-33-28(8-1)9-7-12-34(33)29-18-16-27(17-19-29)31-22-25-39-36(26-31)35-11-3-5-14-38(35)43(39)32-23-20-30(21-24-32)41-42-37-13-4-6-15-40(37)44-41/h1-26H
InChIKeyDPITXNSBXOQBRV-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.08
Rot. Bonds4

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

2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole (PubChem CID 59228230) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is 2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
PubChem CID59228230
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC Name2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc6ccccc6o5)cc4)cc3)cccc2c1
InChIInChI=1S/C41H26N2O/c1-2-10-33-28(8-1)9-7-12-34(33)29-18-16-27(17-19-29)31-22-25-39-36(26-31)35-11-3-5-14-38(35)43(39)32-23-20-30(21-24-32)41-42-37-13-4-6-15-40(37)44-41/h1-26H
InChIKeyDPITXNSBXOQBRV-UHFFFAOYSA-N
XLogP11.08
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-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-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
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-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
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
2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228285
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-naphthalen-1-ylphenyl)carbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500830
2-[4-[2-[2-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228443
4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59228162

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole (CID 59228230) is 2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole is c1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc6ccccc6o5)cc4)cc3)cccc2c1.
What is the InChIKey of 2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole?
The InChIKey is DPITXNSBXOQBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-2-10-33-28(8-1)9-7-12-34(33)29-18-16-27(17-19-29)31-22-25-39-36(26-31)35-11-3-5-14-38(35)43(39)32-23-20-30(21-24-32)41-42-37-13-4-6-15-40(37)44-41/h1-26H.
What are the key properties of 2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole?
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole has a molecular weight of 562.67 g/mol, XLogP of 11.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 59228230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).