8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline

C32H24ClNOS — CID 4221561

IUPAC8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline
SMILESClc1ccc(OC(=C2CCCc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c2cccs2)cc1
InChIInChI=1S/C32H24ClNOS/c33-24-16-18-25(19-17-24)35-32(30-15-8-20-36-30)27-14-7-13-26-28(22-9-3-1-4-10-22)21-29(34-31(26)27)23-11-5-2-6-12-23/h1-6,8-12,15-21H,7,13-14H2
InChIKeyADEPNSKCXWQZJR-UHFFFAOYSA-N
MW506.07 g/mol
LogP9.41
Rot. Bonds5

About 8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline

8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline (PubChem CID 4221561) has the molecular formula C32H24ClNOS and a molecular weight of 506.07 g/mol. Its IUPAC name is 8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline.

Molecular Properties

Compound Name8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline
PubChem CID4221561
Molecular FormulaC32H24ClNOS
Molecular Weight506.07 g/mol
Exact Mass505.13
IUPAC Name8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline
SMILESClc1ccc(OC(=C2CCCc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c2cccs2)cc1
InChIInChI=1S/C32H24ClNOS/c33-24-16-18-25(19-17-24)35-32(30-15-8-20-36-30)27-14-7-13-26-28(22-9-3-1-4-10-22)21-29(34-31(26)27)23-11-5-2-6-12-23/h1-6,8-12,15-21H,7,13-14H2
InChIKeyADEPNSKCXWQZJR-UHFFFAOYSA-N
XLogP9.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.07
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline with MolForge

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Related Compounds

4-(4-chlorophenyl)-2-phenyl-5,6-dihydrobenzo[h]quinoline
CID 3736312
4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 13010672
2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine
CID 2439984
4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118037090
2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline
CID 71522060
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide
CID 20896251
4-[4-(4-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
CID 137175160
2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine
CID 58692908
2-(4-chlorophenyl)-4-(4-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-8-ol
CID 155518317
8-[bis(methylsulfanyl)methylidene]-1-(4-chlorophenyl)-2,4-diphenyl-6,7-dihydro-5H-quinolin-1-ium iodide
CID 13114984
4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 12798312
4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 3321214

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline?
The IUPAC name of 8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline (CID 4221561) is 8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline.
What is the SMILES notation for 8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline?
The canonical SMILES for 8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline is Clc1ccc(OC(=C2CCCc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c2cccs2)cc1.
What is the InChIKey of 8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline?
The InChIKey is ADEPNSKCXWQZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24ClNOS/c33-24-16-18-25(19-17-24)35-32(30-15-8-20-36-30)27-14-7-13-26-28(22-9-3-1-4-10-22)21-29(34-31(26)27)23-11-5-2-6-12-23/h1-6,8-12,15-21H,7,13-14H2.
What are the key properties of 8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline?
8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline has a molecular weight of 506.07 g/mol, XLogP of 9.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenoxy)-thiophen-2-ylmethylidene]-2,4-diphenyl-6,7-dihydro-5H-quinoline is sourced from PubChem (CID 4221561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).