4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline

C42H29NO — CID 170398135

IUPAC4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc(-c4cc5ccccc5o4)c3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C42H29NO/c1-2-15-36(16-3-1)43(38-26-22-32(23-27-38)40-18-9-12-31-10-4-6-17-39(31)40)37-24-20-30(21-25-37)33-13-8-14-34(28-33)42-29-35-11-5-7-19-41(35)44-42/h1-29H
InChIKeyRHAGOVZQNNBLLA-UHFFFAOYSA-N
MW563.70 g/mol
LogP12.06
Rot. Bonds6

About 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline

4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline (PubChem CID 170398135) has the molecular formula C42H29NO and a molecular weight of 563.70 g/mol. Its IUPAC name is 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
PubChem CID170398135
Molecular FormulaC42H29NO
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC Name4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc(-c4cc5ccccc5o4)c3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C42H29NO/c1-2-15-36(16-3-1)43(38-26-22-32(23-27-38)40-18-9-12-31-10-4-6-17-39(31)40)37-24-20-30(21-25-37)33-13-8-14-34(28-33)42-29-35-11-5-7-19-41(35)44-42/h1-29H
InChIKeyRHAGOVZQNNBLLA-UHFFFAOYSA-N
XLogP12.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 170402225
6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170400566
4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170399574
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline
CID 170402214
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine
CID 170400850
4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398268
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 170402227
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)aniline
CID 170402092
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline
CID 170398451
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline?
The IUPAC name of 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline (CID 170398135) is 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline?
The canonical SMILES for 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3cccc(-c4cc5ccccc5o4)c3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline?
The InChIKey is RHAGOVZQNNBLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO/c1-2-15-36(16-3-1)43(38-26-22-32(23-27-38)40-18-9-12-31-10-4-6-17-39(31)40)37-24-20-30(21-25-37)33-13-8-14-34(28-33)42-29-35-11-5-7-19-41(35)44-42/h1-29H.
What are the key properties of 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline?
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline has a molecular weight of 563.70 g/mol, XLogP of 12.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 170398135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).