N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine

C49H32N2O — CID 176785622

IUPACN-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
SMILESc1ccc2cc(-c3nc4cccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7ccccc7c6)cc5)c4o3)ccc2c1
InChIInChI=1S/C49H32N2O/c1-3-12-38-31-40(20-19-33(38)9-1)49-50-47-18-8-17-46(48(47)52-49)37-24-28-42(29-25-37)51(43-30-21-34-10-2-4-13-39(34)32-43)41-26-22-36(23-27-41)45-16-7-14-35-11-5-6-15-44(35)45/h1-32H
InChIKeyHGKKERSOZSRMQA-UHFFFAOYSA-N
MW664.81 g/mol
LogP13.76
Rot. Bonds6

About N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine

N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine (PubChem CID 176785622) has the molecular formula C49H32N2O and a molecular weight of 664.81 g/mol. Its IUPAC name is N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
PubChem CID176785622
Molecular FormulaC49H32N2O
Molecular Weight664.81 g/mol
Exact Mass664.25
IUPAC NameN-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
SMILESc1ccc2cc(-c3nc4cccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7ccccc7c6)cc5)c4o3)ccc2c1
InChIInChI=1S/C49H32N2O/c1-3-12-38-31-40(20-19-33(38)9-1)49-50-47-18-8-17-46(48(47)52-49)37-24-28-42(29-25-37)51(43-30-21-34-10-2-4-13-39(34)32-43)41-26-22-36(23-27-41)45-16-7-14-35-11-5-6-15-44(35)45/h1-32H
InChIKeyHGKKERSOZSRMQA-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 N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-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

4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline
CID 176785431
N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 176785714
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline
CID 176785756
3-naphthalen-1-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 176785675
N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 171410345
2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158718429
N-[3-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-8-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 171410352
N-phenyl-3-(2-phenyl-1,3-benzoxazol-7-yl)-N-(4-phenylphenyl)aniline
CID 176785674
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine
CID 170130702
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
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 155473984
6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine
CID 164939320

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine (CID 176785622) is N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine is c1ccc2cc(-c3nc4cccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7ccccc7c6)cc5)c4o3)ccc2c1.
What is the InChIKey of N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine?
The InChIKey is HGKKERSOZSRMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O/c1-3-12-38-31-40(20-19-33(38)9-1)49-50-47-18-8-17-46(48(47)52-49)37-24-28-42(29-25-37)51(43-30-21-34-10-2-4-13-39(34)32-43)41-26-22-36(23-27-41)45-16-7-14-35-11-5-6-15-44(35)45/h1-32H.
What are the key properties of N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine?
N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-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 N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 176785622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).