2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole

C30H25ClN2 — CID 154266125

IUPAC2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole
SMILESClC1=C(C=CC2=Nc3ccc4ccccc4c3C2)CCCC1=CC=C1Cc2ccccc2N1
InChIInChI=1S/C30H25ClN2/c31-30-21(12-15-24-18-23-7-2-4-11-28(23)32-24)8-5-9-22(30)13-16-25-19-27-26-10-3-1-6-20(26)14-17-29(27)33-25/h1-4,6-7,10-17,32H,5,8-9,18-19H2
InChIKeyVVGPHAOKFINWNJ-UHFFFAOYSA-N
MW449.00 g/mol
LogP8.18
Rot. Bonds3

About 2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole

2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole (PubChem CID 154266125) has the molecular formula C30H25ClN2 and a molecular weight of 449.00 g/mol. Its IUPAC name is 2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole.

Molecular Properties

Compound Name2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole
PubChem CID154266125
Molecular FormulaC30H25ClN2
Molecular Weight449.00 g/mol
Exact Mass448.17
IUPAC Name2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole
SMILESClC1=C(C=CC2=Nc3ccc4ccccc4c3C2)CCCC1=CC=C1Cc2ccccc2N1
InChIInChI=1S/C30H25ClN2/c31-30-21(12-15-24-18-23-7-2-4-11-28(23)32-24)8-5-9-22(30)13-16-25-19-27-26-10-3-1-6-20(26)14-17-29(27)33-25/h1-4,6-7,10-17,32H,5,8-9,18-19H2
InChIKeyVVGPHAOKFINWNJ-UHFFFAOYSA-N
XLogP8.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.00
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-methyl-3,4-dihydroisoquinolin-1-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methylisoquinolin-2-ium
CID 58709226
(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1,2-dihydroindol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1H-indole
CID 89495973
2-[(E)-2-[(3E)-2-chloro-3-[(2Z)-2-(3,3-dimethyl-5-nitro-1H-indol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-5-nitroindole
CID 100921831
(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole
CID 43833419
4-[(Z)-2-[(3E)-2-chloro-3-[2-(3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2,6-diphenylpyridine
CID 160798082
2-[2-[3-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium
CID 123474529
2-[2-[2-chloro-3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole chloride
CID 73011088
(2Z)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indole
CID 15883935
(2E)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indole
CID 23517426
2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole
CID 90888712
3-[(2E)-2-[(2E)-2-[3-[(E)-2-[3-(3-aminopropyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propan-1-amine
CID 10101593
(2E)-3-butyl-2-[2-[3-[(E)-2-(3-butyl-1,1-dimethylcyclopenta[a]naphthalen-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indole
CID 91166289

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole?
The IUPAC name of 2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole (CID 154266125) is 2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole.
What is the SMILES notation for 2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole?
The canonical SMILES for 2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole is ClC1=C(C=CC2=Nc3ccc4ccccc4c3C2)CCCC1=CC=C1Cc2ccccc2N1.
What is the InChIKey of 2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole?
The InChIKey is VVGPHAOKFINWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN2/c31-30-21(12-15-24-18-23-7-2-4-11-28(23)32-24)8-5-9-22(30)13-16-25-19-27-26-10-3-1-6-20(26)14-17-29(27)33-25/h1-4,6-7,10-17,32H,5,8-9,18-19H2.
What are the key properties of 2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole?
2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole has a molecular weight of 449.00 g/mol, XLogP of 8.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-chloro-3-[2-(1,3-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1H-benzo[e]indole is sourced from PubChem (CID 154266125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).