3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene

C57H40N2 — CID 145210805

About 3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene

3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene (PubChem CID 145210805) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene.

Molecular Properties

• Compound Name: 3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene
• PubChem CID: 145210805
• Molecular Formula: C57H40N2
• Molecular Weight: 752.96 g/mol
• Exact Mass: 752.32
• IUPAC Name: 3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene
• SMILES: C=C/C=C\C.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)cc4)ccc32)cc1
• InChI: InChI=1S/C52H32N2.C5H8/c1-2-12-38(13-3-1)53-48-19-8-6-16-42(48)45-30-34(23-27-50(45)53)35-24-28-51-46(31-35)43-17-7-9-20-49(43)54(51)39-25-21-33(22-26-39)37-29-36-11-10-18-44-40-14-4-5-15-41(40)47(32-37)52(36)44;1-3-5-4-2/h1-32H;3-5H,1H2,2H3/b;5-4-
• InChIKey: SDAFJOPBWRMNLB-GUHKXDMSSA-N
• XLogP: 15.76
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.96
LogP ≤ 5	15.76
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 3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene?

The IUPAC name of 3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene (CID 145210805) is 3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene.

What is the SMILES notation for 3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene?

The canonical SMILES for 3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene is C=C/C=C\C.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)cc4)ccc32)cc1.

What is the InChIKey of 3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene?

The InChIKey is SDAFJOPBWRMNLB-GUHKXDMSSA-N. The full InChI is InChI=1S/C52H32N2.C5H8/c1-2-12-38(13-3-1)53-48-19-8-6-16-42(48)45-30-34(23-27-50(45)53)35-24-28-51-46(31-35)43-17-7-9-20-49(43)54(51)39-25-21-33(22-26-39)37-29-36-11-10-18-44-40-14-4-5-15-41(40)47(32-37)52(36)44;1-3-5-4-2/h1-32H;3-5H,1H2,2H3/b;5-4-.

What are the key properties of 3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene?

3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene has a molecular weight of 752.96 g/mol, XLogP of 15.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene is sourced from PubChem (CID 145210805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).