N-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine

C25H17Cl2NO — CID 165013737

IUPACN-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine
SMILESCc1c2ccccc2cc2c(N(c3ccccc3)c3cccc(Cl)c3Cl)coc12
InChIInChI=1S/C25H17Cl2NO/c1-16-19-11-6-5-8-17(19)14-20-23(15-29-25(16)20)28(18-9-3-2-4-10-18)22-13-7-12-21(26)24(22)27/h2-15H,1H3
InChIKeyHRGJUQZPIPTVRM-UHFFFAOYSA-N
MW418.32 g/mol
LogP8.67
Rot. Bonds3

About N-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine

N-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine (PubChem CID 165013737) has the molecular formula C25H17Cl2NO and a molecular weight of 418.32 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine
PubChem CID165013737
Molecular FormulaC25H17Cl2NO
Molecular Weight418.32 g/mol
Exact Mass417.07
IUPAC NameN-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine
SMILESCc1c2ccccc2cc2c(N(c3ccccc3)c3cccc(Cl)c3Cl)coc12
InChIInChI=1S/C25H17Cl2NO/c1-16-19-11-6-5-8-17(19)14-20-23(15-29-25(16)20)28(18-9-3-2-4-10-18)22-13-7-12-21(26)24(22)27/h2-15H,1H3
InChIKeyHRGJUQZPIPTVRM-UHFFFAOYSA-N
XLogP8.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.32
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine
CID 164806667
3-N-(1-benzofuran-3-yl)-2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N-(3-phenylphenyl)benzene-1,3-diamine
CID 146643061
3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 118220081
2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline
CID 167288755
N-(2-chlorophenyl)-N-phenylnaphthalen-1-amine
CID 138519823
2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline
CID 165032581
N-(2,3-dichlorophenyl)-N-phenyl-4,5,6,7-tetrahydro-1-benzofuran-3-amine
CID 168753999
2-chloro-3-N-(4-methylbenzo[e][1]benzothiol-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 165043340
1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 141305521
2-chloro-3-N-(6-methyl-1-benzothiophen-3-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 161400341
N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine;N-(2,3-dichlorophenyl)-N-phenyl-1-benzofuran-3-amine;5H-pyrido[4,3-b]indole
CID 165047294
N,N-diphenylnaphthalen-1-amine
CID 11392281

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine (CID 165013737) is N-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine is Cc1c2ccccc2cc2c(N(c3ccccc3)c3cccc(Cl)c3Cl)coc12.
What is the InChIKey of N-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine?
The InChIKey is HRGJUQZPIPTVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2NO/c1-16-19-11-6-5-8-17(19)14-20-23(15-29-25(16)20)28(18-9-3-2-4-10-18)22-13-7-12-21(26)24(22)27/h2-15H,1H3.
What are the key properties of N-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine?
N-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine has a molecular weight of 418.32 g/mol, XLogP of 8.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-9-methyl-N-phenylbenzo[f][1]benzofuran-3-amine is sourced from PubChem (CID 165013737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).