2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine

C45H30N2O — CID 170424966

IUPAC2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5nc(-c6ccccc6)oc54)c3)c3ccc4ccccc4c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C45H30N2O/c1-4-12-31(13-5-1)32-20-24-37(25-21-32)47(42-29-23-33-14-10-11-19-39(33)43(42)34-15-6-2-7-16-34)38-26-27-40-36(30-38)22-28-41-44(40)48-45(46-41)35-17-8-3-9-18-35/h1-30H
InChIKeyGCUSTKGJZXGCNW-UHFFFAOYSA-N
MW614.75 g/mol
LogP12.60
Rot. Bonds6

About 2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine

2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine (PubChem CID 170424966) has the molecular formula C45H30N2O and a molecular weight of 614.75 g/mol. Its IUPAC name is 2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine.

Molecular Properties

Compound Name2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine
PubChem CID170424966
Molecular FormulaC45H30N2O
Molecular Weight614.75 g/mol
Exact Mass614.24
IUPAC Name2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5nc(-c6ccccc6)oc54)c3)c3ccc4ccccc4c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C45H30N2O/c1-4-12-31(13-5-1)32-20-24-37(25-21-32)47(42-29-23-33-14-10-11-19-39(33)43(42)34-15-6-2-7-16-34)38-26-27-40-36(30-38)22-28-41-44(40)48-45(46-41)35-17-8-3-9-18-35/h1-30H
InChIKeyGCUSTKGJZXGCNW-UHFFFAOYSA-N
XLogP12.60
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine 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

N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 171410345
N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
CID 155473991
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 155473984
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123128
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631252
1-N-[3-(N-naphthalen-1-ylanilino)phenyl]-1-N,3-N-diphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417056
N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline
CID 154030880
3-N-naphthalen-2-yl-1-N,1-N-diphenyl-3-N-[3-(N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)anilino)phenyl]benzene-1,3-diamine
CID 171417102
5-N,5-N,9-N,9-N,2-pentakis-phenylnaphtho[2,1-g][1,3]benzoxazole-5,9-diamine
CID 170410514
N,2-diphenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743018
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 167124665
N-phenyl-N-[4-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]naphthalen-1-amine
CID 176631327

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine?
The IUPAC name of 2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine (CID 170424966) is 2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine.
What is the SMILES notation for 2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine?
The canonical SMILES for 2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine is c1ccc(-c2ccc(N(c3ccc4c(ccc5nc(-c6ccccc6)oc54)c3)c3ccc4ccccc4c3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine?
The InChIKey is GCUSTKGJZXGCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O/c1-4-12-31(13-5-1)32-20-24-37(25-21-32)47(42-29-23-33-14-10-11-19-39(33)43(42)34-15-6-2-7-16-34)38-26-27-40-36(30-38)22-28-41-44(40)48-45(46-41)35-17-8-3-9-18-35/h1-30H.
What are the key properties of 2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine?
2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine has a molecular weight of 614.75 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine is sourced from PubChem (CID 170424966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).