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

C40H27NO — CID 170526351

IUPACN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESc1ccc(-c2cc3ccccc3o2)c(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)c1
InChIInChI=1S/C40H27NO/c1-3-11-31-25-35(23-17-28(31)9-1)41(36-24-18-29-10-2-4-12-32(29)26-36)34-21-19-30(20-22-34)37-14-6-7-15-38(37)40-27-33-13-5-8-16-39(33)42-40/h1-27H
InChIKeyLPSIOHSTLRWHCH-UHFFFAOYSA-N
MW537.66 g/mol
LogP11.54
Rot. Bonds5

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

N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 170526351) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
PubChem CID170526351
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC NameN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESc1ccc(-c2cc3ccccc3o2)c(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)c1
InChIInChI=1S/C40H27NO/c1-3-11-31-25-35(23-17-28(31)9-1)41(36-24-18-29-10-2-4-12-32(29)26-36)34-21-19-30(20-22-34)37-14-6-7-15-38(37)40-27-33-13-5-8-16-39(33)42-40/h1-27H
InChIKeyLPSIOHSTLRWHCH-UHFFFAOYSA-N
XLogP11.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399776
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-ylaniline
CID 170526349
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 170398318
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398306
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-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 170526196
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-(3,5-diphenylphenyl)-3,5-diphenylaniline
CID 170398415

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (CID 170526351) is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The canonical SMILES for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is c1ccc(-c2cc3ccccc3o2)c(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)c1.
What is the InChIKey of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The InChIKey is LPSIOHSTLRWHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-3-11-31-25-35(23-17-28(31)9-1)41(36-24-18-29-10-2-4-12-32(29)26-36)34-21-19-30(20-22-34)37-14-6-7-15-38(37)40-27-33-13-5-8-16-39(33)42-40/h1-27H.
What are the key properties of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 537.66 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 170526351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).