5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole

C81H61N — CID 144956052

About 5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole

5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole (PubChem CID 144956052) has the molecular formula C81H61N and a molecular weight of 1048.39 g/mol. Its IUPAC name is 5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole
• PubChem CID: 144956052
• Molecular Formula: C81H61N
• Molecular Weight: 1048.39 g/mol
• Exact Mass: 1047.48
• IUPAC Name: 5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole
• SMILES: C=C(/C=C(\C=C(/C)c1cccc2c1c1cc(-c3ccc4c(c3)-c3cc(-c5ccc6c(c5)-c5c(cccc5/C(C)=C/C(=C\Cc5ccccc5)c5ccccc5)C6)ccc3C4)ccc1n2-c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C81H61N/c1-54(58-23-11-5-12-24-58)45-70(60-27-15-7-16-28-60)47-56(3)73-33-20-34-79-81(73)77-53-65(43-44-78(77)82(79)71-30-17-8-18-31-71)63-38-41-67-48-66-40-37-62(50-74(66)75(67)51-63)64-39-42-68-49-69-29-19-32-72(80(69)76(68)52-64)55(2)46-61(59-25-13-6-14-26-59)36-35-57-21-9-4-10-22-57/h4-34,36-47,50-53H,1,35,48-49H2,2-3H3/b55-46+,56-47+,61-36+,70-45+
• InChIKey: AAODDLCFZAYRAW-CHNGLMOXSA-N
• XLogP: 21.19
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1048.39
LogP ≤ 5	21.19
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 5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole?

The IUPAC name of 5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole (CID 144956052) is 5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole?

The canonical SMILES for 5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole is C=C(/C=C(\C=C(/C)c1cccc2c1c1cc(-c3ccc4c(c3)-c3cc(-c5ccc6c(c5)-c5c(cccc5/C(C)=C/C(=C\Cc5ccccc5)c5ccccc5)C6)ccc3C4)ccc1n2-c1ccccc1)c1ccccc1)c1ccccc1.

What is the InChIKey of 5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole?

The InChIKey is AAODDLCFZAYRAW-CHNGLMOXSA-N. The full InChI is InChI=1S/C81H61N/c1-54(58-23-11-5-12-24-58)45-70(60-27-15-7-16-28-60)47-56(3)73-33-20-34-79-81(73)77-53-65(43-44-78(77)82(79)71-30-17-8-18-31-71)63-38-41-67-48-66-40-37-62(50-74(66)75(67)51-63)64-39-42-68-49-69-29-19-32-72(80(69)76(68)52-64)55(2)46-61(59-25-13-6-14-26-59)36-35-57-21-9-4-10-22-57/h4-34,36-47,50-53H,1,35,48-49H2,2-3H3/b55-46+,56-47+,61-36+,70-45+.

What are the key properties of 5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole?

5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole has a molecular weight of 1048.39 g/mol, XLogP of 21.19, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 144956052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).