3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole

C32H22Cl3N — CID 71517838

IUPAC3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole
SMILESCn1cc(C(/C=C(\C#Cc2ccccc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C32H22Cl3N/c1-36-21-30(28-9-5-6-10-32(28)36)29(27-18-17-26(34)20-31(27)35)19-24(23-13-15-25(33)16-14-23)12-11-22-7-3-2-4-8-22/h2-10,13-21,29H,1H3/b24-19+
InChIKeyJHCUFOCTLAXIPJ-LYBHJNIJSA-N
MW526.89 g/mol
LogP9.41
Rot. Bonds4

About 3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole

3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole (PubChem CID 71517838) has the molecular formula C32H22Cl3N and a molecular weight of 526.89 g/mol. Its IUPAC name is 3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole.

Molecular Properties

Compound Name3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole
PubChem CID71517838
Molecular FormulaC32H22Cl3N
Molecular Weight526.89 g/mol
Exact Mass525.08
IUPAC Name3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole
SMILESCn1cc(C(/C=C(\C#Cc2ccccc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C32H22Cl3N/c1-36-21-30(28-9-5-6-10-32(28)36)29(27-18-17-26(34)20-31(27)35)19-24(23-13-15-25(33)16-14-23)12-11-22-7-3-2-4-8-22/h2-10,13-21,29H,1H3/b24-19+
InChIKeyJHCUFOCTLAXIPJ-LYBHJNIJSA-N
XLogP9.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.89
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(Z)-5-(1-methylindol-3-yl)-3,5-diphenylpent-3-en-1-ynyl]silane
CID 71517839
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N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
1-methyl-3-propan-2-ylindole
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3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol
CID 46848256
2-(5-chloro-1-methylindol-3-yl)propanoic acid
CID 18175124
(3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one
CID 101252968
3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 30945806
cumene;2,4-dichloro-1-propan-2-ylbenzene
CID 162264964

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole?
The IUPAC name of 3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole (CID 71517838) is 3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole.
What is the SMILES notation for 3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole?
The canonical SMILES for 3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole is Cn1cc(C(/C=C(\C#Cc2ccccc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of 3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole?
The InChIKey is JHCUFOCTLAXIPJ-LYBHJNIJSA-N. The full InChI is InChI=1S/C32H22Cl3N/c1-36-21-30(28-9-5-6-10-32(28)36)29(27-18-17-26(34)20-31(27)35)19-24(23-13-15-25(33)16-14-23)12-11-22-7-3-2-4-8-22/h2-10,13-21,29H,1H3/b24-19+.
What are the key properties of 3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole?
3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole has a molecular weight of 526.89 g/mol, XLogP of 9.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-phenylpent-2-en-4-ynyl]-1-methylindole is sourced from PubChem (CID 71517838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).