N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

C42H29NO — CID 170399711

IUPACN-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccccc4-c4cc5ccccc5o4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C42H29NO/c1-2-13-36(14-3-1)43(38-27-24-30-10-4-5-11-34(30)28-38)37-25-22-32(23-26-37)31-18-20-33(21-19-31)39-15-7-8-16-40(39)42-29-35-12-6-9-17-41(35)44-42/h1-29H
InChIKeyMIYPSSFRRRDHQG-UHFFFAOYSA-N
MW563.70 g/mol
LogP12.06
Rot. Bonds6

About N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 170399711) has the molecular formula C42H29NO and a molecular weight of 563.70 g/mol. Its IUPAC name is N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID170399711
Molecular FormulaC42H29NO
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC NameN-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccccc4-c4cc5ccccc5o4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C42H29NO/c1-2-13-36(14-3-1)43(38-27-24-30-10-4-5-11-34(30)28-38)37-25-22-32(23-26-37)31-18-20-33(21-19-31)39-15-7-8-16-40(39)42-29-35-12-6-9-17-41(35)44-42/h1-29H
InChIKeyMIYPSSFRRRDHQG-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-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 170526351
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 170526137
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399776
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170399764
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 170398533
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398306
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline
CID 170398451
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 170398318
N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline
CID 165085656
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
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-ylaniline
CID 170526349

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 170399711) is N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(N(c2ccc(-c3ccc(-c4ccccc4-c4cc5ccccc5o4)cc3)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is MIYPSSFRRRDHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO/c1-2-13-36(14-3-1)43(38-27-24-30-10-4-5-11-34(30)28-38)37-25-22-32(23-26-37)31-18-20-33(21-19-31)39-15-7-8-16-40(39)42-29-35-12-6-9-17-41(35)44-42/h1-29H.
What are the key properties of N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-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-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 170399711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).