(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

C30H33ClN2 — CID 89495973

About (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

(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 (PubChem CID 89495973) has the molecular formula C30H33ClN2 and a molecular weight of 457.06 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 89495973
• Molecular Formula: C30H33ClN2
• Molecular Weight: 457.06 g/mol
• Exact Mass: 456.23
• IUPAC Name: (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
• SMILES: CC1(C)/C(=C\C=C2/CCCC(/C=C/C3Nc4ccccc4C3(C)C)=C2Cl)Nc2ccccc21
• InChI: InChI=1S/C30H33ClN2/c1-29(2)22-12-5-7-14-24(22)32-26(29)18-16-20-10-9-11-21(28(20)31)17-19-27-30(3,4)23-13-6-8-15-25(23)33-27/h5-8,12-19,26,32-33H,9-11H2,1-4H3/b18-16+,21-17+,27-19+
• InChIKey: UJXAGDOSVHJPHA-DBMDGPMTSA-N
• XLogP: 8.20
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.06
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CC1(C)/C(=C\C=C2/CCCC(/C=C/C3Nc4ccccc4C3(C)C)=C2Cl)Nc2ccccc21.

What is the InChIKey of (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?

The InChIKey is UJXAGDOSVHJPHA-DBMDGPMTSA-N. The full InChI is InChI=1S/C30H33ClN2/c1-29(2)22-12-5-7-14-24(22)32-26(29)18-16-20-10-9-11-21(28(20)31)17-19-27-30(3,4)23-13-6-8-15-25(23)33-27/h5-8,12-19,26,32-33H,9-11H2,1-4H3/b18-16+,21-17+,27-19+.

What are the key properties of (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?

(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 has a molecular weight of 457.06 g/mol, XLogP of 8.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 89495973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).