2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine

C49H32N2O — CID 171410426

IUPAC2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccccc4-c4ccccc4)c4cccc5ccc6oc(-c7ccc8ccccc8c7)nc6c45)ccc3c2)cc1
InChIInChI=1S/C49H32N2O/c1-3-12-33(13-4-1)38-23-24-40-32-42(28-26-39(40)30-38)51(44-20-10-9-19-43(44)35-15-5-2-6-16-35)45-21-11-18-36-27-29-46-48(47(36)45)50-49(52-46)41-25-22-34-14-7-8-17-37(34)31-41/h1-32H
InChIKeyFAKRLLNHLLAMFM-UHFFFAOYSA-N
MW664.81 g/mol
LogP13.76
Rot. Bonds6

About 2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine

2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine (PubChem CID 171410426) has the molecular formula C49H32N2O and a molecular weight of 664.81 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine
PubChem CID171410426
Molecular FormulaC49H32N2O
Molecular Weight664.81 g/mol
Exact Mass664.25
IUPAC Name2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccccc4-c4ccccc4)c4cccc5ccc6oc(-c7ccc8ccccc8c7)nc6c45)ccc3c2)cc1
InChIInChI=1S/C49H32N2O/c1-3-12-33(13-4-1)38-23-24-40-32-42(28-26-39(40)30-38)51(44-20-10-9-19-43(44)35-15-5-2-6-16-35)45-21-11-18-36-27-29-46-48(47(36)45)50-49(52-46)41-25-22-34-14-7-8-17-37(34)31-41/h1-32H
InChIKeyFAKRLLNHLLAMFM-UHFFFAOYSA-N
XLogP13.76
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-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

2-[3-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-8-yl)phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 171410331
3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline
CID 176785495
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 170395135
N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine
CID 176631223
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123274
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 176785731
N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine
CID 171410290
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 167125131
N-(4-dibenzofuran-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119483
N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810491
N,2-diphenyl-N-[3-(2-phenylphenanthro[2,1-e][1,3]benzoxazol-10-yl)phenyl]aniline
CID 170122375

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine?
The IUPAC name of 2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine (CID 171410426) is 2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine.
What is the SMILES notation for 2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine?
The canonical SMILES for 2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine is c1ccc(-c2ccc3cc(N(c4ccccc4-c4ccccc4)c4cccc5ccc6oc(-c7ccc8ccccc8c7)nc6c45)ccc3c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine?
The InChIKey is FAKRLLNHLLAMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O/c1-3-12-33(13-4-1)38-23-24-40-32-42(28-26-39(40)30-38)51(44-20-10-9-19-43(44)35-15-5-2-6-16-35)45-21-11-18-36-27-29-46-48(47(36)45)50-49(52-46)41-25-22-34-14-7-8-17-37(34)31-41/h1-32H.
What are the key properties of 2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine?
2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine has a molecular weight of 664.81 g/mol, XLogP of 13.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine is sourced from PubChem (CID 171410426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).