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

C40H27NO — CID 170398550

IUPACN-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
SMILESc1cc(-c2cc3ccccc3o2)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C40H27NO/c1-3-10-31-24-33(17-16-28(31)8-1)30-18-21-36(22-19-30)41(38-23-20-29-9-2-4-11-32(29)25-38)37-14-7-13-34(26-37)40-27-35-12-5-6-15-39(35)42-40/h1-27H
InChIKeyLXNWTRYJOHZBOI-UHFFFAOYSA-N
MW537.66 g/mol
LogP11.54
Rot. Bonds5

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

N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine (PubChem CID 170398550) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
PubChem CID170398550
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC NameN-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
SMILESc1cc(-c2cc3ccccc3o2)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C40H27NO/c1-3-10-31-24-33(17-16-28(31)8-1)30-18-21-36(22-19-30)41(38-23-20-29-9-2-4-11-32(29)25-38)37-14-7-13-34(26-37)40-27-35-12-5-6-15-39(35)42-40/h1-27H
InChIKeyLXNWTRYJOHZBOI-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-[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
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-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine
CID 170398146
N-[3-(1-benzofuran-2-yl)phenyl]-3-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 170402033
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]-3-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 170402177
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-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 170398533

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine (CID 170398550) is N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine is c1cc(-c2cc3ccccc3o2)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine?
The InChIKey is LXNWTRYJOHZBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-3-10-31-24-33(17-16-28(31)8-1)30-18-21-36(22-19-30)41(38-23-20-29-9-2-4-11-32(29)25-38)37-14-7-13-34(26-37)40-27-35-12-5-6-15-39(35)42-40/h1-27H.
What are the key properties of N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine?
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-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-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 170398550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).