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

C50H35NO — CID 170399776

IUPAC4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5-c5cc6ccccc6o5)cc4)cc3)cc2)cc1
InChIInChI=1S/C50H35NO/c1-3-13-38(14-4-1)45-18-8-9-19-46(45)40-29-33-44(34-30-40)51(42-16-5-2-6-17-42)43-31-27-37(28-32-43)36-23-25-39(26-24-36)47-20-10-11-21-48(47)50-35-41-15-7-12-22-49(41)52-50/h1-35H
InChIKeyQNQMASPHTGTNNZ-UHFFFAOYSA-N
MW665.84 g/mol
LogP14.24
Rot. Bonds8

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

4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline (PubChem CID 170399776) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
PubChem CID170399776
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC Name4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5-c5cc6ccccc6o5)cc4)cc3)cc2)cc1
InChIInChI=1S/C50H35NO/c1-3-13-38(14-4-1)45-18-8-9-19-46(45)40-29-33-44(34-30-40)51(42-16-5-2-6-17-42)43-31-27-37(28-32-43)36-23-25-39(26-24-36)47-20-10-11-21-48(47)50-35-41-15-7-12-22-49(41)52-50/h1-35H
InChIKeyQNQMASPHTGTNNZ-UHFFFAOYSA-N
XLogP14.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline
CID 170398451
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398306
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline
CID 170398415
4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170400028
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170399711
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170399764
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 170526137
4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398268
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
CID 170399789
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 170398318
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 170526351
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399873

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline (CID 170399776) is 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5-c5cc6ccccc6o5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
The InChIKey is QNQMASPHTGTNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO/c1-3-13-38(14-4-1)45-18-8-9-19-46(45)40-29-33-44(34-30-40)51(42-16-5-2-6-17-42)43-31-27-37(28-32-43)36-23-25-39(26-24-36)47-20-10-11-21-48(47)50-35-41-15-7-12-22-49(41)52-50/h1-35H.
What are the key properties of 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline has a molecular weight of 665.84 g/mol, XLogP of 14.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170399776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).