N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

C37H27NO — CID 170399243

IUPACN-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCc1c(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)c2)oc2ccccc12
InChIInChI=1S/C37H27NO/c1-26-35-16-7-8-17-36(35)39-37(26)31-13-9-12-29(24-31)28-18-21-33(22-19-28)38(32-14-3-2-4-15-32)34-23-20-27-10-5-6-11-30(27)25-34/h2-25H,1H3
InChIKeyKCPSMKZDSMJGIE-UHFFFAOYSA-N
MW501.63 g/mol
LogP10.70
Rot. Bonds5

About N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 170399243) has the molecular formula C37H27NO and a molecular weight of 501.63 g/mol. Its IUPAC name is N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID170399243
Molecular FormulaC37H27NO
Molecular Weight501.63 g/mol
Exact Mass501.21
IUPAC NameN-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCc1c(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)c2)oc2ccccc12
InChIInChI=1S/C37H27NO/c1-26-35-16-7-8-17-36(35)39-37(26)31-13-9-12-29(24-31)28-18-21-33(22-19-28)38(32-14-3-2-4-15-32)34-23-20-27-10-5-6-11-30(27)25-34/h2-25H,1H3
InChIKeyKCPSMKZDSMJGIE-UHFFFAOYSA-N
XLogP10.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-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

3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170526059
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 170399249
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399267
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170401544
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 170399413
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170399246
3-(3-methyl-1-benzofuran-2-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 170526399
3-(3-methyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170400365
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine
CID 170399244
4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
CID 170401348
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 170401362
N-naphthalen-2-yl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 170399013

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 170399243) is N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine is Cc1c(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)c2)oc2ccccc12.
What is the InChIKey of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is KCPSMKZDSMJGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO/c1-26-35-16-7-8-17-36(35)39-37(26)31-13-9-12-29(24-31)28-18-21-33(22-19-28)38(32-14-3-2-4-15-32)34-23-20-27-10-5-6-11-30(27)25-34/h2-25H,1H3.
What are the key properties of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 501.63 g/mol, XLogP of 10.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 170399243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).