N-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine

C29H21NO — CID 145358233

IUPACN-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
SMILESCN(c1ccc(-c2cccc3ccccc23)cc1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C29H21NO/c1-30(23-17-18-29-27(19-23)26-10-4-5-12-28(26)31-29)22-15-13-21(14-16-22)25-11-6-8-20-7-2-3-9-24(20)25/h2-19H,1H3
InChIKeyRRBIVLQRIILBRU-UHFFFAOYSA-N
MW399.49 g/mol
LogP8.17
Rot. Bonds3

About N-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine

N-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine (PubChem CID 145358233) has the molecular formula C29H21NO and a molecular weight of 399.49 g/mol. Its IUPAC name is N-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
PubChem CID145358233
Molecular FormulaC29H21NO
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC NameN-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
SMILESCN(c1ccc(-c2cccc3ccccc23)cc1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C29H21NO/c1-30(23-17-18-29-27(19-23)26-10-4-5-12-28(26)31-29)22-15-13-21(14-16-22)25-11-6-8-20-7-2-3-9-24(20)25/h2-19H,1H3
InChIKeyRRBIVLQRIILBRU-UHFFFAOYSA-N
XLogP8.17
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 121325430
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 147363119
4-dibenzofuran-1-yl-N-methyl-N-phenylaniline
CID 134561321
N-methyl-8-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 163926030
N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline
CID 70877185
N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 167183035
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 167234918
8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
CID 130208127
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
CID 168809644
2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536122
N,N-bis(4-dibenzofuran-2-ylphenyl)-3,5-diphenylaniline;N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 157066218

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine (CID 145358233) is N-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine is CN(c1ccc(-c2cccc3ccccc23)cc1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The InChIKey is RRBIVLQRIILBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO/c1-30(23-17-18-29-27(19-23)26-10-4-5-12-28(26)31-29)22-15-13-21(14-16-22)25-11-6-8-20-7-2-3-9-24(20)25/h2-19H,1H3.
What are the key properties of N-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
N-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine has a molecular weight of 399.49 g/mol, XLogP of 8.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 145358233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).