3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline

C30H20ClNO — CID 138519402

IUPAC3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
SMILESClc1cccc(N(c2ccccc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C30H20ClNO/c31-22-8-6-11-25(20-22)32(23-9-2-1-3-10-23)24-18-16-21(17-19-24)26-13-7-14-28-27-12-4-5-15-29(27)33-30(26)28/h1-20H
InChIKeySEXCEXJCMDQWIT-UHFFFAOYSA-N
MW445.95 g/mol
LogP9.38
Rot. Bonds4

About 3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline

3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline (PubChem CID 138519402) has the molecular formula C30H20ClNO and a molecular weight of 445.95 g/mol. Its IUPAC name is 3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
PubChem CID138519402
Molecular FormulaC30H20ClNO
Molecular Weight445.95 g/mol
Exact Mass445.12
IUPAC Name3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
SMILESClc1cccc(N(c2ccccc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C30H20ClNO/c31-22-8-6-11-25(20-22)32(23-9-2-1-3-10-23)24-18-16-21(17-19-24)26-13-7-14-28-27-12-4-5-15-29(27)33-30(26)28/h1-20H
InChIKeySEXCEXJCMDQWIT-UHFFFAOYSA-N
XLogP9.38
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605105
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
CID 167143311
7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine
CID 88884869
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641
3-dibenzofuran-4-yl-N,N-bis[4-[3-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(2-phenylphenyl)phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 162075230

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline?
The IUPAC name of 3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline (CID 138519402) is 3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline?
The canonical SMILES for 3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline is Clc1cccc(N(c2ccccc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1.
What is the InChIKey of 3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline?
The InChIKey is SEXCEXJCMDQWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20ClNO/c31-22-8-6-11-25(20-22)32(23-9-2-1-3-10-23)24-18-16-21(17-19-24)26-13-7-14-28-27-12-4-5-15-29(27)33-30(26)28/h1-20H.
What are the key properties of 3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline?
3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline has a molecular weight of 445.95 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 138519402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).