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

C50H35NO — CID 170398306

IUPACN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-c5cc6ccccc6o5)cc4)c4cccc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C50H35NO/c1-3-12-36(13-4-1)38-22-24-39(25-23-38)40-26-30-44(31-27-40)51(46-18-11-17-42(34-46)37-14-5-2-6-15-37)45-32-28-41(29-33-45)47-19-8-9-20-48(47)50-35-43-16-7-10-21-49(43)52-50/h1-35H
InChIKeyNIFWRNRUNJYITP-UHFFFAOYSA-N
MW665.84 g/mol
LogP14.24
Rot. Bonds8

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

N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 170398306) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID170398306
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC NameN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-c5cc6ccccc6o5)cc4)c4cccc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C50H35NO/c1-3-12-36(13-4-1)38-22-24-39(25-23-38)40-26-30-44(31-27-40)51(46-18-11-17-42(34-46)37-14-5-2-6-15-37)45-32-28-41(29-33-45)47-19-8-9-20-48(47)50-35-43-16-7-10-21-49(43)52-50/h1-35H
InChIKeyNIFWRNRUNJYITP-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
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399776
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 170398386
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
4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398268
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-phenylphenyl)aniline
CID 170398679
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 170398533

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 170398306) is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-c5cc6ccccc6o5)cc4)c4cccc(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is NIFWRNRUNJYITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO/c1-3-12-36(13-4-1)38-22-24-39(25-23-38)40-26-30-44(31-27-40)51(46-18-11-17-42(34-46)37-14-5-2-6-15-37)45-32-28-41(29-33-45)47-19-8-9-20-48(47)50-35-43-16-7-10-21-49(43)52-50/h1-35H.
What are the key properties of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-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 N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170398306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).