3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C38H27NO — CID 170398602

IUPAC3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc(-c5cc6ccccc6o5)c4)cc3)cc2)cc1
InChIInChI=1S/C38H27NO/c1-3-10-28(11-4-1)29-18-20-30(21-19-29)31-22-24-35(25-23-31)39(34-14-5-2-6-15-34)36-16-9-13-32(26-36)38-27-33-12-7-8-17-37(33)40-38/h1-27H
InChIKeyZPDNAWIRSRFIAC-UHFFFAOYSA-N
MW513.64 g/mol
LogP10.90
Rot. Bonds6

About 3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 170398602) has the molecular formula C38H27NO and a molecular weight of 513.64 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID170398602
Molecular FormulaC38H27NO
Molecular Weight513.64 g/mol
Exact Mass513.21
IUPAC Name3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc(-c5cc6ccccc6o5)c4)cc3)cc2)cc1
InChIInChI=1S/C38H27NO/c1-3-10-28(11-4-1)29-18-20-30(21-19-29)31-22-24-35(25-23-31)39(34-14-5-2-6-15-34)36-16-9-13-32(26-36)38-27-33-12-7-8-17-37(33)40-38/h1-27H
InChIKeyZPDNAWIRSRFIAC-UHFFFAOYSA-N
XLogP10.90
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline 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-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541
N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398609
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 170398637
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 170402040
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine
CID 170398542
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170402049
4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 170398550
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 170398602) is 3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc(-c5cc6ccccc6o5)c4)cc3)cc2)cc1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is ZPDNAWIRSRFIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NO/c1-3-10-28(11-4-1)29-18-20-30(21-19-29)31-22-24-35(25-23-31)39(34-14-5-2-6-15-34)36-16-9-13-32(26-36)38-27-33-12-7-8-17-37(33)40-38/h1-27H.
What are the key properties of 3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 513.64 g/mol, XLogP of 10.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170398602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).