7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine

C30H20ClNS2 — CID 154971589

IUPAC7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine
SMILESClc1ccc(-c2ccc3c(c2)Sc2ccc(N(c4ccccc4)c4ccccc4)cc2S3)cc1
InChIInChI=1S/C30H20ClNS2/c31-23-14-11-21(12-15-23)22-13-17-27-29(19-22)33-28-18-16-26(20-30(28)34-27)32(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-20H
InChIKeyQEIOAYJAGZQSPP-UHFFFAOYSA-N
MW494.08 g/mol
LogP10.09
Rot. Bonds4

About 7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine

7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine (PubChem CID 154971589) has the molecular formula C30H20ClNS2 and a molecular weight of 494.08 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine
PubChem CID154971589
Molecular FormulaC30H20ClNS2
Molecular Weight494.08 g/mol
Exact Mass493.07
IUPAC Name7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine
SMILESClc1ccc(-c2ccc3c(c2)Sc2ccc(N(c4ccccc4)c4ccccc4)cc2S3)cc1
InChIInChI=1S/C30H20ClNS2/c31-23-14-11-21(12-15-23)22-13-17-27-29(19-22)33-28-18-16-26(20-30(28)34-27)32(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-20H
InChIKeyQEIOAYJAGZQSPP-UHFFFAOYSA-N
XLogP10.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.08
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59025088
N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 123790773
4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 121295829
3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 67786435
N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 153085376
7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine
CID 154971789
4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline
CID 176611385
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
6-(8-chlorothianthren-2-yl)-N,N-diphenyldibenzofuran-2-amine
CID 158203016
N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-2-yl)phenyl]-N,4-diphenylaniline
CID 123177063

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine?
The IUPAC name of 7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine (CID 154971589) is 7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine.
What is the SMILES notation for 7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine?
The canonical SMILES for 7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine is Clc1ccc(-c2ccc3c(c2)Sc2ccc(N(c4ccccc4)c4ccccc4)cc2S3)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine?
The InChIKey is QEIOAYJAGZQSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20ClNS2/c31-23-14-11-21(12-15-23)22-13-17-27-29(19-22)33-28-18-16-26(20-30(28)34-27)32(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-20H.
What are the key properties of 7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine?
7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine has a molecular weight of 494.08 g/mol, XLogP of 10.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-N,N-diphenylthianthren-2-amine is sourced from PubChem (CID 154971589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).