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

C50H35NO — CID 170526148

IUPACN-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4ccccc4-c4ccccc4)cc3)cc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C50H35NO/c1-4-16-37(17-5-1)43-33-30-40(34-46(43)50-35-41-22-10-15-27-49(41)52-50)36-28-31-42(32-29-36)51(47-25-13-11-23-44(47)38-18-6-2-7-19-38)48-26-14-12-24-45(48)39-20-8-3-9-21-39/h1-35H
InChIKeyHAUPZCKYMMMJMS-UHFFFAOYSA-N
MW665.84 g/mol
LogP14.24
Rot. Bonds8

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

N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline (PubChem CID 170526148) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
PubChem CID170526148
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC NameN-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4ccccc4-c4ccccc4)cc3)cc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C50H35NO/c1-4-16-37(17-5-1)43-33-30-40(34-46(43)50-35-41-22-10-15-27-49(41)52-50)36-28-31-42(32-29-36)51(47-25-13-11-23-44(47)38-18-6-2-7-19-38)48-26-14-12-24-45(48)39-20-8-3-9-21-39/h1-35H
InChIKeyHAUPZCKYMMMJMS-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-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170400127
4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170400028
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 170526196
2-(1-benzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398915
N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 170400134
N-[2-(1-benzofuran-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 170398985
2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398858
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399776
N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 170526378
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 170399851
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170399736
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline
CID 170398451

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
The IUPAC name of N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline (CID 170526148) is N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
The canonical SMILES for N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4ccccc4-c4ccccc4)cc3)cc2-c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
The InChIKey is HAUPZCKYMMMJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO/c1-4-16-37(17-5-1)43-33-30-40(34-46(43)50-35-41-22-10-15-27-49(41)52-50)36-28-31-42(32-29-36)51(47-25-13-11-23-44(47)38-18-6-2-7-19-38)48-26-14-12-24-45(48)39-20-8-3-9-21-39/h1-35H.
What are the key properties of N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)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 N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 170526148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).