5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole

C47H34N4 — CID 121462318

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole (PubChem CID 121462318) has the molecular formula C47H34N4 and a molecular weight of 654.82 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole
• PubChem CID: 121462318
• Molecular Formula: C47H34N4
• Molecular Weight: 654.82 g/mol
• Exact Mass: 654.28
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole
• SMILES: C=C(/C=C\C=C/C)C1(c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21
• InChI: InChI=1S/C47H34N4/c1-3-4-8-19-32(2)47(35-24-13-7-14-25-35)40-28-17-15-26-36(40)38-30-39-37-27-16-18-29-42(37)51(43(39)31-41(38)47)46-49-44(33-20-9-5-10-21-33)48-45(50-46)34-22-11-6-12-23-34/h3-31H,2H2,1H3/b4-3-,19-8-
• InChIKey: OKTZJXHXAXQKIR-HOCACPDYSA-N
• XLogP: 11.31
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.82
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole (CID 121462318) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole is C=C(/C=C\C=C/C)C1(c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole?

The InChIKey is OKTZJXHXAXQKIR-HOCACPDYSA-N. The full InChI is InChI=1S/C47H34N4/c1-3-4-8-19-32(2)47(35-24-13-7-14-25-35)40-28-17-15-26-36(40)38-30-39-37-27-16-18-29-42(37)51(43(39)31-41(38)47)46-49-44(33-20-9-5-10-21-33)48-45(50-46)34-22-11-6-12-23-34/h3-31H,2H2,1H3/b4-3-,19-8-.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole has a molecular weight of 654.82 g/mol, XLogP of 11.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 121462318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).