5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole

C36H42N2 — CID 11260599

IUPAC5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole
SMILESC=CC(C)(C)c1c[nH]c2ccc(/C=C/[C@@]3(C)CCC(C)=C[C@H]3c3ccc4[nH]cc(C(C)(C)C=C)c4c3)cc12
InChIInChI=1S/C36H42N2/c1-9-34(4,5)30-22-37-32-13-11-25(20-27(30)32)16-18-36(8)17-15-24(3)19-29(36)26-12-14-33-28(21-26)31(23-38-33)35(6,7)10-2/h9-14,16,18-23,29,37-38H,1-2,15,17H2,3-8H3/b18-16+/t29-,36+/m0/s1
InChIKeySYOHATBHOYMGBM-HSJDSTSFSA-N
MW502.75 g/mol
LogP10.12
Rot. Bonds7

About 5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole

5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole (PubChem CID 11260599) has the molecular formula C36H42N2 and a molecular weight of 502.75 g/mol. Its IUPAC name is 5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole.

Molecular Properties

Compound Name5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole
PubChem CID11260599
Molecular FormulaC36H42N2
Molecular Weight502.75 g/mol
Exact Mass502.33
IUPAC Name5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole
SMILESC=CC(C)(C)c1c[nH]c2ccc(/C=C/[C@@]3(C)CCC(C)=C[C@H]3c3ccc4[nH]cc(C(C)(C)C=C)c4c3)cc12
InChIInChI=1S/C36H42N2/c1-9-34(4,5)30-22-37-32-13-11-25(20-27(30)32)16-18-36(8)17-15-24(3)19-29(36)26-12-14-33-28(21-26)31(23-38-33)35(6,7)10-2/h9-14,16,18-23,29,37-38H,1-2,15,17H2,3-8H3/b18-16+/t29-,36+/m0/s1
InChIKeySYOHATBHOYMGBM-HSJDSTSFSA-N
XLogP10.12
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.75
LogP ≤ 510.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole?
The IUPAC name of 5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole (CID 11260599) is 5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole.
What is the SMILES notation for 5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole?
The canonical SMILES for 5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole is C=CC(C)(C)c1c[nH]c2ccc(/C=C/[C@@]3(C)CCC(C)=C[C@H]3c3ccc4[nH]cc(C(C)(C)C=C)c4c3)cc12.
What is the InChIKey of 5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole?
The InChIKey is SYOHATBHOYMGBM-HSJDSTSFSA-N. The full InChI is InChI=1S/C36H42N2/c1-9-34(4,5)30-22-37-32-13-11-25(20-27(30)32)16-18-36(8)17-15-24(3)19-29(36)26-12-14-33-28(21-26)31(23-38-33)35(6,7)10-2/h9-14,16,18-23,29,37-38H,1-2,15,17H2,3-8H3/b18-16+/t29-,36+/m0/s1.
What are the key properties of 5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole?
5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole has a molecular weight of 502.75 g/mol, XLogP of 10.12, 7 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole is sourced from PubChem (CID 11260599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).