(2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole

C23H24ClN — CID 89195962

IUPAC(2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole
SMILESCN1/C(=C/C=C2\CCCC=C2Cl)C(C)(C)c2c1ccc1ccccc21
InChIInChI=1S/C23H24ClN/c1-23(2)21(15-13-17-9-5-7-11-19(17)24)25(3)20-14-12-16-8-4-6-10-18(16)22(20)23/h4,6,8,10-15H,5,7,9H2,1-3H3/b17-13+,21-15+
InChIKeyMAOLFNAMFLQXIL-HYRKGBBPSA-N
MW349.91 g/mol
LogP6.68
Rot. Bonds1

About (2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole

(2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole (PubChem CID 89195962) has the molecular formula C23H24ClN and a molecular weight of 349.91 g/mol. Its IUPAC name is (2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole.

Molecular Properties

Compound Name(2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole
PubChem CID89195962
Molecular FormulaC23H24ClN
Molecular Weight349.91 g/mol
Exact Mass349.16
IUPAC Name(2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole
SMILESCN1/C(=C/C=C2\CCCC=C2Cl)C(C)(C)c2c1ccc1ccccc21
InChIInChI=1S/C23H24ClN/c1-23(2)21(15-13-17-9-5-7-11-19(17)24)25(3)20-14-12-16-8-4-6-10-18(16)22(20)23/h4,6,8,10-15H,5,7,9H2,1-3H3/b17-13+,21-15+
InChIKeyMAOLFNAMFLQXIL-HYRKGBBPSA-N
XLogP6.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.91
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(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
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
(2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole
CID 21138647
1-[(E)-5-[(3E)-2-chloro-3-[(2Z)-2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]cyclohexen-1-yl]-2-methyl-3-methylidenepent-4-en-2-yl]-N-methylnaphthalen-2-amine
CID 89202854
(1E,3E)-1,3-bis(1,1,3-trimethylbenzo[e]indol-2-ylidene)propan-2-one
CID 58705042
(2E,5Z)-2-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-5-[(2E)-2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopentan-1-one
CID 11562463
(5E)-2-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[(2E)-2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-ol
CID 123192361
(2Z,5E)-2,5-bis[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopentan-1-one
CID 177409719
ethyl-[(2E)-2-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-6-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclohexylidene]-methylazanium
CID 161393138
(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole
CID 58647340
methane;1,1,3-trimethyl-2-[2-[3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-[[2-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-6-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]-[6-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]methyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole
CID 158503410
2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium perchlorate
CID 170852270

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole?
The IUPAC name of (2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole (CID 89195962) is (2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole.
What is the SMILES notation for (2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole?
The canonical SMILES for (2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole is CN1/C(=C/C=C2\CCCC=C2Cl)C(C)(C)c2c1ccc1ccccc21.
What is the InChIKey of (2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole?
The InChIKey is MAOLFNAMFLQXIL-HYRKGBBPSA-N. The full InChI is InChI=1S/C23H24ClN/c1-23(2)21(15-13-17-9-5-7-11-19(17)24)25(3)20-14-12-16-8-4-6-10-18(16)22(20)23/h4,6,8,10-15H,5,7,9H2,1-3H3/b17-13+,21-15+.
What are the key properties of (2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole?
(2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole has a molecular weight of 349.91 g/mol, XLogP of 6.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2E)-2-(2-chlorocyclohex-2-en-1-ylidene)ethylidene]-1,1,3-trimethylbenzo[e]indole is sourced from PubChem (CID 89195962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).