N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine

C48H33NO — CID 170398542

IUPACN-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc(-c5cc6ccccc6o5)c4)c4ccc5ccccc5c4)cc3)c2)cc1
InChIInChI=1S/C48H33NO/c1-3-12-34(13-4-1)41-28-42(35-14-5-2-6-15-35)30-43(29-41)37-22-25-44(26-23-37)49(46-27-24-36-16-7-8-17-38(36)31-46)45-20-11-19-39(32-45)48-33-40-18-9-10-21-47(40)50-48/h1-33H
InChIKeyLAJOKQRSSQWZSL-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

About N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine

N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 170398542) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine
PubChem CID170398542
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC NameN-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc(-c5cc6ccccc6o5)c4)c4ccc5ccccc5c4)cc3)c2)cc1
InChIInChI=1S/C48H33NO/c1-3-12-34(13-4-1)41-28-42(35-14-5-2-6-15-35)30-43(29-41)37-22-25-44(26-23-37)49(46-27-24-36-16-7-8-17-38(36)31-46)45-20-11-19-39(32-45)48-33-40-18-9-10-21-47(40)50-48/h1-33H
InChIKeyLAJOKQRSSQWZSL-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]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

N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine
CID 170398146
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 170402040
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170402049
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 170398637
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 170398550
6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170400574
N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398609
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 170398533
N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline
CID 165085656

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine (CID 170398542) is N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc(-c5cc6ccccc6o5)c4)c4ccc5ccccc5c4)cc3)c2)cc1.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is LAJOKQRSSQWZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-3-12-34(13-4-1)41-28-42(35-14-5-2-6-15-35)30-43(29-41)37-22-25-44(26-23-37)49(46-27-24-36-16-7-8-17-38(36)31-46)45-20-11-19-39(32-45)48-33-40-18-9-10-21-47(40)50-48/h1-33H.
What are the key properties of N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine?
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine has a molecular weight of 639.80 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170398542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).