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

C42H29NO — CID 170398637

IUPACN-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4cc5ccccc5o4)c3)c2)cc1
InChIInChI=1S/C42H29NO/c1-2-10-30(11-3-1)34-15-8-17-39(27-34)43(40-18-9-16-36(28-40)42-29-37-14-6-7-19-41(37)44-42)38-24-22-32(23-25-38)35-21-20-31-12-4-5-13-33(31)26-35/h1-29H
InChIKeyHBUGJZICTVCZPE-UHFFFAOYSA-N
MW563.70 g/mol
LogP12.06
Rot. Bonds6

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

N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline (PubChem CID 170398637) has the molecular formula C42H29NO and a molecular weight of 563.70 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
PubChem CID170398637
Molecular FormulaC42H29NO
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC NameN-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4cc5ccccc5o4)c3)c2)cc1
InChIInChI=1S/C42H29NO/c1-2-10-30(11-3-1)34-15-8-17-39(27-34)43(40-18-9-16-36(28-40)42-29-37-14-6-7-19-41(37)44-42)38-24-22-32(23-25-38)35-21-20-31-12-4-5-13-33(31)26-35/h1-29H
InChIKeyHBUGJZICTVCZPE-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

3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 170402040
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170402049
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 170398550
6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170400574
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine
CID 170398542
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-(4-phenylphenyl)phenyl]aniline
CID 170398602
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine
CID 170398146
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 165046109
N-[3-(1-benzofuran-2-yl)phenyl]-3-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 170402033
N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398609

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline?
The IUPAC name of N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline (CID 170398637) is N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline is c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4cc5ccccc5o4)c3)c2)cc1.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline?
The InChIKey is HBUGJZICTVCZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO/c1-2-10-30(11-3-1)34-15-8-17-39(27-34)43(40-18-9-16-36(28-40)42-29-37-14-6-7-19-41(37)44-42)38-24-22-32(23-25-38)35-21-20-31-12-4-5-13-33(31)26-35/h1-29H.
What are the key properties of N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline?
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-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 N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline is sourced from PubChem (CID 170398637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).