2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile

C47H30N2O — CID 176630518

IUPAC2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile
SMILESN#Cc1ccccc1N(c1cccc(-c2cccc3ccccc23)c1)c1cccc2oc3c(-c4ccccc4-c4ccccc4)cccc3c12
InChIInChI=1S/C47H30N2O/c48-31-35-17-5-9-27-43(35)49(36-20-10-19-34(30-36)39-24-11-18-33-16-4-6-21-37(33)39)44-28-13-29-45-46(44)42-26-12-25-41(47(42)50-45)40-23-8-7-22-38(40)32-14-2-1-3-15-32/h1-30H
InChIKeyMDMUQFCXCVBFCF-UHFFFAOYSA-N
MW638.77 g/mol
LogP13.08
Rot. Bonds6

About 2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile

2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile (PubChem CID 176630518) has the molecular formula C47H30N2O and a molecular weight of 638.77 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile.

Molecular Properties

Compound Name2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile
PubChem CID176630518
Molecular FormulaC47H30N2O
Molecular Weight638.77 g/mol
Exact Mass638.24
IUPAC Name2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile
SMILESN#Cc1ccccc1N(c1cccc(-c2cccc3ccccc23)c1)c1cccc2oc3c(-c4ccccc4-c4ccccc4)cccc3c12
InChIInChI=1S/C47H30N2O/c48-31-35-17-5-9-27-43(35)49(36-20-10-19-34(30-36)39-24-11-18-33-16-4-6-21-37(33)39)44-28-13-29-45-46(44)42-26-12-25-41(47(42)50-45)40-23-8-7-22-38(40)32-14-2-1-3-15-32/h1-30H
InChIKeyMDMUQFCXCVBFCF-UHFFFAOYSA-N
XLogP13.08
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069748
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325834
N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 174329064
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 167329983
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738835
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739651
N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423836
N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 155186822
N-naphthalen-1-yl-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423840
N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 169007531

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile?
The IUPAC name of 2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile (CID 176630518) is 2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile.
What is the SMILES notation for 2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile?
The canonical SMILES for 2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile is N#Cc1ccccc1N(c1cccc(-c2cccc3ccccc23)c1)c1cccc2oc3c(-c4ccccc4-c4ccccc4)cccc3c12.
What is the InChIKey of 2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile?
The InChIKey is MDMUQFCXCVBFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O/c48-31-35-17-5-9-27-43(35)49(36-20-10-19-34(30-36)39-24-11-18-33-16-4-6-21-37(33)39)44-28-13-29-45-46(44)42-26-12-25-41(47(42)50-45)40-23-8-7-22-38(40)32-14-2-1-3-15-32/h1-30H.
What are the key properties of 2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile?
2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile has a molecular weight of 638.77 g/mol, XLogP of 13.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile is sourced from PubChem (CID 176630518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).