(2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole]

C43H52ClNO2 — CID 59871107

About (2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole]

(2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole] (PubChem CID 59871107) has the molecular formula C43H52ClNO2 and a molecular weight of 650.35 g/mol. Its IUPAC name is (2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole].

Molecular Properties

• Compound Name: (2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole]
• PubChem CID: 59871107
• Molecular Formula: C43H52ClNO2
• Molecular Weight: 650.35 g/mol
• Exact Mass: 649.37
• IUPAC Name: (2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole]
• SMILES: COc1cc(C)c2c(c1)C1(CCCCC1)C(/C=C/C1=C(Cl)/C(=C/C=C3\N(C)c4c(C)cc(OC)cc4C34CCCCC4)CCC1)=C2C
• InChI: InChI=1S/C43H52ClNO2/c1-28-24-33(46-5)26-36-39(28)30(3)35(42(36)20-9-7-10-21-42)18-16-31-14-13-15-32(40(31)44)17-19-38-43(22-11-8-12-23-43)37-27-34(47-6)25-29(2)41(37)45(38)4/h16-19,24-27H,7-15,20-23H2,1-6H3/b18-16+,32-17+,38-19-
• InChIKey: FNFYEXJLMJMJLB-HTLWMYFPSA-N
• XLogP: 11.70
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.35
LogP ≤ 5	11.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole]?

The IUPAC name of (2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole] (CID 59871107) is (2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole].

What is the SMILES notation for (2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole]?

The canonical SMILES for (2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole] is COc1cc(C)c2c(c1)C1(CCCCC1)C(/C=C/C1=C(Cl)/C(=C/C=C3\N(C)c4c(C)cc(OC)cc4C34CCCCC4)CCC1)=C2C.

What is the InChIKey of (2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole]?

The InChIKey is FNFYEXJLMJMJLB-HTLWMYFPSA-N. The full InChI is InChI=1S/C43H52ClNO2/c1-28-24-33(46-5)26-36-39(28)30(3)35(42(36)20-9-7-10-21-42)18-16-31-14-13-15-32(40(31)44)17-19-38-43(22-11-8-12-23-43)37-27-34(47-6)25-29(2)41(37)45(38)4/h16-19,24-27H,7-15,20-23H2,1-6H3/b18-16+,32-17+,38-19-.

What are the key properties of (2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole]?

(2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole] has a molecular weight of 650.35 g/mol, XLogP of 11.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2'Z)-2'-[(2E)-2-[2-chloro-3-[(E)-2-(6'-methoxy-3',4'-dimethylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5'-methoxy-1',7'-dimethylspiro[cyclohexane-1,3'-indole] is sourced from PubChem (CID 59871107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).