(2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole

C38H41Br2N — CID 122536750

About (2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole

(2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole (PubChem CID 122536750) has the molecular formula C38H41Br2N and a molecular weight of 671.56 g/mol. Its IUPAC name is (2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole.

Molecular Properties

• Compound Name: (2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole
• PubChem CID: 122536750
• Molecular Formula: C38H41Br2N
• Molecular Weight: 671.56 g/mol
• Exact Mass: 669.16
• IUPAC Name: (2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole
• SMILES: C=C(/C=C/C=C/C=C/C=C1/N(CCCc2ccccc2)c2ccc(Br)cc2C1(C)C)C(C)(C)c1cc(Br)ccc1C
• InChI: InChI=1S/C38H41Br2N/c1-28-21-22-31(39)26-33(28)37(3,4)29(2)16-11-8-7-9-14-20-36-38(5,6)34-27-32(40)23-24-35(34)41(36)25-15-19-30-17-12-10-13-18-30/h7-14,16-18,20-24,26-27H,2,15,19,25H2,1,3-6H3/b8-7+,14-9+,16-11+,36-20+
• InChIKey: GRLYUUIQGLOSJJ-ANDUUNKOSA-N
• XLogP: 11.34
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.56
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole?

The IUPAC name of (2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole (CID 122536750) is (2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole.

What is the SMILES notation for (2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole?

The canonical SMILES for (2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole is C=C(/C=C/C=C/C=C/C=C1/N(CCCc2ccccc2)c2ccc(Br)cc2C1(C)C)C(C)(C)c1cc(Br)ccc1C.

What is the InChIKey of (2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole?

The InChIKey is GRLYUUIQGLOSJJ-ANDUUNKOSA-N. The full InChI is InChI=1S/C38H41Br2N/c1-28-21-22-31(39)26-33(28)37(3,4)29(2)16-11-8-7-9-14-20-36-38(5,6)34-27-32(40)23-24-35(34)41(36)25-15-19-30-17-12-10-13-18-30/h7-14,16-18,20-24,26-27H,2,15,19,25H2,1,3-6H3/b8-7+,14-9+,16-11+,36-20+.

What are the key properties of (2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole?

(2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole has a molecular weight of 671.56 g/mol, XLogP of 11.34, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole is sourced from PubChem (CID 122536750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).