ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane)

C46H65N3 — CID 143856355

About ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane)

ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane) (PubChem CID 143856355) has the molecular formula C46H65N3 and a molecular weight of 660.05 g/mol. Its IUPAC name is ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane).

Molecular Properties

• Compound Name: ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane)
• PubChem CID: 143856355
• Molecular Formula: C46H65N3
• Molecular Weight: 660.05 g/mol
• Exact Mass: 659.52
• IUPAC Name: ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane)
• SMILES: CC.CC(C)C.CC(C)C.CC(C)CN=C1C=CC(=C(c2ccc(NCC(C)C)cc2)c2c(-c3ccccc3)n(C)c3ccccc23)C=C1
• InChI: InChI=1S/C36H39N3.2C4H10.C2H6/c1-25(2)23-37-30-19-15-27(16-20-30)34(28-17-21-31(22-18-28)38-24-26(3)4)35-32-13-9-10-14-33(32)39(5)36(35)29-11-7-6-8-12-29;2*1-4(2)3;1-2/h6-22,25-26,37H,23-24H2,1-5H3;2*4H,1-3H3;1-2H3/b34-28-,38-31+
• InChIKey: AHXIPNDYQPRRCD-DXCMDGOBSA-N
• XLogP: 13.29
• TPSA: 29.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.05
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane)?

The IUPAC name of ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane) (CID 143856355) is ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane).

What is the SMILES notation for ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane)?

The canonical SMILES for ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane) is CC.CC(C)C.CC(C)C.CC(C)CN=C1C=CC(=C(c2ccc(NCC(C)C)cc2)c2c(-c3ccccc3)n(C)c3ccccc23)C=C1.

What is the InChIKey of ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane)?

The InChIKey is AHXIPNDYQPRRCD-DXCMDGOBSA-N. The full InChI is InChI=1S/C36H39N3.2C4H10.C2H6/c1-25(2)23-37-30-19-15-27(16-20-30)34(28-17-21-31(22-18-28)38-24-26(3)4)35-32-13-9-10-14-33(32)39(5)36(35)29-11-7-6-8-12-29;2*1-4(2)3;1-2/h6-22,25-26,37H,23-24H2,1-5H3;2*4H,1-3H3;1-2H3/b34-28-,38-31+;;;.

What are the key properties of ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane)?

ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane) has a molecular weight of 660.05 g/mol, XLogP of 13.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-[(1-methyl-2-phenylindol-3-yl)-[4-(2-methylpropylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N-(2-methylpropyl)aniline;bis(2-methylpropane) is sourced from PubChem (CID 143856355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).