9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole

C38H28N2 — CID 166755903

About 9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole

9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole (PubChem CID 166755903) has the molecular formula C38H28N2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole
• PubChem CID: 166755903
• Molecular Formula: C38H28N2
• Molecular Weight: 512.66 g/mol
• Exact Mass: 512.23
• IUPAC Name: 9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole
• SMILES: C=C/C(=C\c1c(C)n(-c2cccc3c2Cc2ccccc2-3)c2ccccc12)n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C38H28N2/c1-3-27(40-36-20-10-6-15-30(36)31-16-7-11-21-37(31)40)24-33-25(2)39(35-19-9-8-17-32(33)35)38-22-12-18-29-28-14-5-4-13-26(28)23-34(29)38/h3-22,24H,1,23H2,2H3/b27-24+
• InChIKey: APBZQEFCQGFCHH-SOYKGTTHSA-N
• XLogP: 9.80
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.66
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole?

The IUPAC name of 9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole (CID 166755903) is 9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole.

What is the SMILES notation for 9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole?

The canonical SMILES for 9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole is C=C/C(=C\c1c(C)n(-c2cccc3c2Cc2ccccc2-3)c2ccccc12)n1c2ccccc2c2ccccc21.

What is the InChIKey of 9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole?

The InChIKey is APBZQEFCQGFCHH-SOYKGTTHSA-N. The full InChI is InChI=1S/C38H28N2/c1-3-27(40-36-20-10-6-15-30(36)31-16-7-11-21-37(31)40)24-33-25(2)39(35-19-9-8-17-32(33)35)38-22-12-18-29-28-14-5-4-13-26(28)23-34(29)38/h3-22,24H,1,23H2,2H3/b27-24+.

What are the key properties of 9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole?

9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole has a molecular weight of 512.66 g/mol, XLogP of 9.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(1E)-1-[1-(9H-fluoren-1-yl)-2-methylindol-3-yl]buta-1,3-dien-2-yl]carbazole is sourced from PubChem (CID 166755903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).