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

C36H25NO — CID 170526305

IUPACN-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2c(-c3ccccc3N(c3ccccc3)c3cccc4ccccc34)oc3ccccc23)cc1
InChIInChI=1S/C36H25NO/c1-3-15-27(16-4-1)35-31-22-10-12-25-34(31)38-36(35)30-21-9-11-23-33(30)37(28-18-5-2-6-19-28)32-24-13-17-26-14-7-8-20-29(26)32/h1-25H
InChIKeyZZMSJJBHQJHFIJ-UHFFFAOYSA-N
MW487.60 g/mol
LogP10.39
Rot. Bonds5

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

N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine (PubChem CID 170526305) has the molecular formula C36H25NO and a molecular weight of 487.60 g/mol. Its IUPAC name is N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
PubChem CID170526305
Molecular FormulaC36H25NO
Molecular Weight487.60 g/mol
Exact Mass487.19
IUPAC NameN-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2c(-c3ccccc3N(c3ccccc3)c3cccc4ccccc34)oc3ccccc23)cc1
InChIInChI=1S/C36H25NO/c1-3-15-27(16-4-1)35-31-22-10-12-25-34(31)38-36(35)30-21-9-11-23-33(30)37(28-18-5-2-6-19-28)32-24-13-17-26-14-7-8-20-29(26)32/h1-25H
InChIKeyZZMSJJBHQJHFIJ-UHFFFAOYSA-N
XLogP10.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline
CID 170401910
N-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 170400225
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline
CID 170401905
N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170402015
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline
CID 170401915
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399193
N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170400224
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-1-amine
CID 170402291
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526453
N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine
CID 134551135
N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine
CID 170401598
N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine
CID 167324686

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine (CID 170526305) is N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine is c1ccc(-c2c(-c3ccccc3N(c3ccccc3)c3cccc4ccccc34)oc3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine?
The InChIKey is ZZMSJJBHQJHFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NO/c1-3-15-27(16-4-1)35-31-22-10-12-25-34(31)38-36(35)30-21-9-11-23-33(30)37(28-18-5-2-6-19-28)32-24-13-17-26-14-7-8-20-29(26)32/h1-25H.
What are the key properties of N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine?
N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine has a molecular weight of 487.60 g/mol, XLogP of 10.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 170526305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).