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

C42H29NO — CID 170400798

IUPAC4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)c4ccccc34)c2)cc1
InChIInChI=1S/C42H29NO/c1-3-13-30(14-4-1)31-16-12-21-36(28-31)43(35-19-5-2-6-20-35)40-26-25-37(38-22-8-9-23-39(38)40)32-17-11-18-33(27-32)42-29-34-15-7-10-24-41(34)44-42/h1-29H
InChIKeyTWCRPIUJXSAXGS-UHFFFAOYSA-N
MW563.70 g/mol
LogP12.06
Rot. Bonds6

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

4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine (PubChem CID 170400798) 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-phenyl-N-(3-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine
PubChem CID170400798
Molecular FormulaC42H29NO
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC Name4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)c4ccccc34)c2)cc1
InChIInChI=1S/C42H29NO/c1-3-13-30(14-4-1)31-16-12-21-36(28-31)43(35-19-5-2-6-20-35)40-26-25-37(38-22-8-9-23-39(38)40)32-17-11-18-33(27-32)42-29-34-15-7-10-24-41(34)44-42/h1-29H
InChIKeyTWCRPIUJXSAXGS-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

4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine
CID 170400850
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-naphthalen-2-yl-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170400708
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 170400847
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 170402225
N-[4-[3-(1-benzofuran-2-yl)phenyl]naphthalen-1-yl]-N-naphthalen-2-ylphenanthren-2-amine
CID 170400710
N-[4-[3-(1-benzofuran-2-yl)phenyl]naphthalen-1-yl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
CID 170400839
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 170398135
N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398609
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]-N,4-diphenylaniline
CID 170526268

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine (CID 170400798) is 4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)c4ccccc34)c2)cc1.
What is the InChIKey of 4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine?
The InChIKey is TWCRPIUJXSAXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO/c1-3-13-30(14-4-1)31-16-12-21-36(28-31)43(35-19-5-2-6-20-35)40-26-25-37(38-22-8-9-23-39(38)40)32-17-11-18-33(27-32)42-29-34-15-7-10-24-41(34)44-42/h1-29H.
What are the key properties of 4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine?
4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine 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-phenyl-N-(3-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 170400798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).