7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine

C30H18ClNS3 — CID 154971789

IUPAC7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine
SMILESClc1ccc2c(c1)Sc1ccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc1S2
InChIInChI=1S/C30H18ClNS3/c31-19-10-13-27-29(16-19)34-28-15-12-22(18-30(28)35-27)32(20-6-2-1-3-7-20)21-11-14-26-24(17-21)23-8-4-5-9-25(23)33-26/h1-18H
InChIKeyRRFJYGQPTVYPBG-UHFFFAOYSA-N
MW524.14 g/mol
LogP10.79
Rot. Bonds3

About 7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine

7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine (PubChem CID 154971789) has the molecular formula C30H18ClNS3 and a molecular weight of 524.14 g/mol. Its IUPAC name is 7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine.

Molecular Properties

Compound Name7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine
PubChem CID154971789
Molecular FormulaC30H18ClNS3
Molecular Weight524.14 g/mol
Exact Mass523.03
IUPAC Name7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine
SMILESClc1ccc2c(c1)Sc1ccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc1S2
InChIInChI=1S/C30H18ClNS3/c31-19-10-13-27-29(16-19)34-28-15-12-22(18-30(28)35-27)32(20-6-2-1-3-7-20)21-11-14-26-24(17-21)23-8-4-5-9-25(23)33-26/h1-18H
InChIKeyRRFJYGQPTVYPBG-UHFFFAOYSA-N
XLogP10.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.14
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenylthianthrene-2,7-diamine
CID 161333669
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 166917856
N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine
CID 146588785
N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine
CID 147492660
9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine
CID 139525351
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
CID 146576040
7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine
CID 155773213
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine
CID 154971589
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine?
The IUPAC name of 7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine (CID 154971789) is 7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine.
What is the SMILES notation for 7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine?
The canonical SMILES for 7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine is Clc1ccc2c(c1)Sc1ccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc1S2.
What is the InChIKey of 7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine?
The InChIKey is RRFJYGQPTVYPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18ClNS3/c31-19-10-13-27-29(16-19)34-28-15-12-22(18-30(28)35-27)32(20-6-2-1-3-7-20)21-11-14-26-24(17-21)23-8-4-5-9-25(23)33-26/h1-18H.
What are the key properties of 7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine?
7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine has a molecular weight of 524.14 g/mol, XLogP of 10.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine is sourced from PubChem (CID 154971789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).