9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine

C30H18ClNS2 — CID 139525351

IUPAC9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine
SMILESClc1cccc2sc3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3c12
InChIInChI=1S/C30H18ClNS2/c31-25-10-6-12-29-30(25)24-18-21(14-16-28(24)34-29)32(19-7-2-1-3-8-19)20-13-15-27-23(17-20)22-9-4-5-11-26(22)33-27/h1-18H
InChIKeyYYQRGQCKTAEFDN-UHFFFAOYSA-N
MW492.07 g/mol
LogP10.55
Rot. Bonds3

About 9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine

9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine (PubChem CID 139525351) has the molecular formula C30H18ClNS2 and a molecular weight of 492.07 g/mol. Its IUPAC name is 9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound Name9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine
PubChem CID139525351
Molecular FormulaC30H18ClNS2
Molecular Weight492.07 g/mol
Exact Mass491.06
IUPAC Name9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine
SMILESClc1cccc2sc3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3c12
InChIInChI=1S/C30H18ClNS2/c31-25-10-6-12-29-30(25)24-18-21(14-16-28(24)34-29)32(19-7-2-1-3-8-19)20-13-15-27-23(17-20)22-9-4-5-11-26(22)33-27/h1-18H
InChIKeyYYQRGQCKTAEFDN-UHFFFAOYSA-N
XLogP10.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.07
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenylthianthrene-2,7-diamine
CID 161333669
7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146551481
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
CID 146576040
3-N,3-N-di(dibenzothiophen-2-yl)-1-N,5-N-bis(3-methylphenyl)-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605072
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-bis(3-methylphenyl)-5-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605031
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine
CID 159001337
7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine
CID 154971789
N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine
CID 164829419
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine?
The IUPAC name of 9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine (CID 139525351) is 9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for 9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for 9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine is Clc1cccc2sc3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3c12.
What is the InChIKey of 9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine?
The InChIKey is YYQRGQCKTAEFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18ClNS2/c31-25-10-6-12-29-30(25)24-18-21(14-16-28(24)34-29)32(19-7-2-1-3-8-19)20-13-15-27-23(17-20)22-9-4-5-11-26(22)33-27/h1-18H.
What are the key properties of 9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine?
9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine has a molecular weight of 492.07 g/mol, XLogP of 10.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 139525351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).