6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline]

C24H20ClNS2 — CID 53355105

IUPAC6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline]
SMILESClc1ccc2c(c1)C1(SCCCS1)C(c1ccccc1)(c1ccccc1)C=N2
InChIInChI=1S/C24H20ClNS2/c25-20-12-13-22-21(16-20)24(27-14-7-15-28-24)23(17-26-22,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-13,16-17H,7,14-15H2
InChIKeyDGQHQGNEKKBNSN-UHFFFAOYSA-N
MW422.02 g/mol
LogP7.07
Rot. Bonds2

About 6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline]

6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline] (PubChem CID 53355105) has the molecular formula C24H20ClNS2 and a molecular weight of 422.02 g/mol. Its IUPAC name is 6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline].

Molecular Properties

Compound Name6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline]
PubChem CID53355105
Molecular FormulaC24H20ClNS2
Molecular Weight422.02 g/mol
Exact Mass421.07
IUPAC Name6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline]
SMILESClc1ccc2c(c1)C1(SCCCS1)C(c1ccccc1)(c1ccccc1)C=N2
InChIInChI=1S/C24H20ClNS2/c25-20-12-13-22-21(16-20)24(27-14-7-15-28-24)23(17-26-22,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-13,16-17H,7,14-15H2
InChIKeyDGQHQGNEKKBNSN-UHFFFAOYSA-N
XLogP7.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.02
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline]
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CID 3711438
6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
CID 14084887
5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole
CID 141042971
2-methyl-2-[3-(2-phenoxyethoxy)phenyl]-1,3-dithiane
CID 19989676
2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine
CID 153406391
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3-chloro-5,12,12-triphenyltetracen-5-ol
CID 163521956

Frequently Asked Questions

What is the IUPAC name of 6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline]?
The IUPAC name of 6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline] (CID 53355105) is 6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline].
What is the SMILES notation for 6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline]?
The canonical SMILES for 6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline] is Clc1ccc2c(c1)C1(SCCCS1)C(c1ccccc1)(c1ccccc1)C=N2.
What is the InChIKey of 6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline]?
The InChIKey is DGQHQGNEKKBNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNS2/c25-20-12-13-22-21(16-20)24(27-14-7-15-28-24)23(17-26-22,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-13,16-17H,7,14-15H2.
What are the key properties of 6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline]?
6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline] has a molecular weight of 422.02 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline] is sourced from PubChem (CID 53355105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).