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

C42H29NO — CID 170398533

IUPACN-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3cccc(-c4cc5ccccc5o4)c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C42H29NO/c1-2-12-31(13-3-1)39-18-7-8-19-40(39)32-22-24-36(25-23-32)43(38-26-21-30-11-4-5-14-33(30)27-38)37-17-10-16-34(28-37)42-29-35-15-6-9-20-41(35)44-42/h1-29H
InChIKeyNWMXTSUJIVSCCO-UHFFFAOYSA-N
MW563.70 g/mol
LogP12.06
Rot. Bonds6

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

N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 170398533) 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-(2-phenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine
PubChem CID170398533
Molecular FormulaC42H29NO
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC NameN-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3cccc(-c4cc5ccccc5o4)c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C42H29NO/c1-2-12-31(13-3-1)39-18-7-8-19-40(39)32-22-24-36(25-23-32)43(38-26-21-30-11-4-5-14-33(30)27-38)37-17-10-16-34(28-37)42-29-35-15-6-9-20-41(35)44-42/h1-29H
InChIKeyNWMXTSUJIVSCCO-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-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine
CID 170398542
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 170398550
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 170526137
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170399711
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 170398637
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170402049
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 170402040
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 170526351
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-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine
CID 170398146
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398306

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine (CID 170398533) is N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine is c1ccc(-c2ccccc2-c2ccc(N(c3cccc(-c4cc5ccccc5o4)c3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is NWMXTSUJIVSCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO/c1-2-12-31(13-3-1)39-18-7-8-19-40(39)32-22-24-36(25-23-32)43(38-26-21-30-11-4-5-14-33(30)27-38)37-17-10-16-34(28-37)42-29-35-15-6-9-20-41(35)44-42/h1-29H.
What are the key properties of N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine?
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-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 N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170398533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).