3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole

C47H39N — CID 144578766

About 3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole

3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole (PubChem CID 144578766) has the molecular formula C47H39N and a molecular weight of 617.84 g/mol. Its IUPAC name is 3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole.

Molecular Properties

• Compound Name: 3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole
• PubChem CID: 144578766
• Molecular Formula: C47H39N
• Molecular Weight: 617.84 g/mol
• Exact Mass: 617.31
• IUPAC Name: 3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole
• SMILES: Cc1c#cc2c(c1)c1cc(/C(=C/c3ccccc3C)C3CC3)ccc1n2-c1ccc2c(c1)C(C)(C)c1c-2ccc2c1C1=C(CCC=C1)C2
• InChI: InChI=1S/C47H39N/c1-28-13-21-43-40(23-28)41-26-33(39(30-14-15-30)25-31-10-6-5-9-29(31)2)17-22-44(41)48(43)35-18-20-37-38-19-16-34-24-32-11-7-8-12-36(32)45(34)46(38)47(3,4)42(37)27-35/h5-6,8-10,12,16-20,22-23,25-27,30H,7,11,14-15,24H2,1-4H3/b39-25+
• InChIKey: SYKAKJABESEOKD-SBWWSWLISA-N
• XLogP: 11.92
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.84
LogP ≤ 5	11.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole?

The IUPAC name of 3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole (CID 144578766) is 3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole.

What is the SMILES notation for 3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole?

The canonical SMILES for 3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole is Cc1c#cc2c(c1)c1cc(/C(=C/c3ccccc3C)C3CC3)ccc1n2-c1ccc2c(c1)C(C)(C)c1c-2ccc2c1C1=C(CCC=C1)C2.

What is the InChIKey of 3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole?

The InChIKey is SYKAKJABESEOKD-SBWWSWLISA-N. The full InChI is InChI=1S/C47H39N/c1-28-13-21-43-40(23-28)41-26-33(39(30-14-15-30)25-31-10-6-5-9-29(31)2)17-22-44(41)48(43)35-18-20-37-38-19-16-34-24-32-11-7-8-12-36(32)45(34)46(38)47(3,4)42(37)27-35/h5-6,8-10,12,16-20,22-23,25-27,30H,7,11,14-15,24H2,1-4H3/b39-25+.

What are the key properties of 3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole?

3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole has a molecular weight of 617.84 g/mol, XLogP of 11.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(E)-1-cyclopropyl-2-(2-methylphenyl)ethenyl]-9-(12,12-dimethyl-8,9-dihydro-7H-indeno[1,2-a]fluoren-2-yl)-6-methyl-7,8-didehydrocarbazole is sourced from PubChem (CID 144578766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).