9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole

C75H52N4 — CID 155179728

About 9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole

9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole (PubChem CID 155179728) has the molecular formula C75H52N4 and a molecular weight of 1009.27 g/mol. Its IUPAC name is 9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole
• PubChem CID: 155179728
• Molecular Formula: C75H52N4
• Molecular Weight: 1009.27 g/mol
• Exact Mass: 1008.42
• IUPAC Name: 9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole
• SMILES: C=C/C=C\C(=C)c1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)cc4)c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c(-c4ccc(-c5ccccc5)cc4)c3)n2)c1
• InChI: InChI=1S/C75H52N4/c1-3-4-22-51(2)62-45-63(55-29-16-8-17-30-55)47-64(46-62)74-76-73(60-31-18-9-19-32-60)77-75(78-74)65-49-67(58-39-35-56(36-40-58)52-23-10-5-11-24-52)72(68(50-65)59-41-37-57(38-42-59)53-25-12-6-13-26-53)79-70-34-21-20-33-66(70)69-48-61(43-44-71(69)79)54-27-14-7-15-28-54/h3-50H,1-2H2/b22-4-
• InChIKey: NNVJEEVMFAICFS-OZDWGKQUSA-N
• XLogP: 19.73
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.27
LogP ≤ 5	19.73
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 9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole?

The IUPAC name of 9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole (CID 155179728) is 9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole.

What is the SMILES notation for 9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole?

The canonical SMILES for 9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole is C=C/C=C\C(=C)c1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)cc4)c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c(-c4ccc(-c5ccccc5)cc4)c3)n2)c1.

What is the InChIKey of 9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole?

The InChIKey is NNVJEEVMFAICFS-OZDWGKQUSA-N. The full InChI is InChI=1S/C75H52N4/c1-3-4-22-51(2)62-45-63(55-29-16-8-17-30-55)47-64(46-62)74-76-73(60-31-18-9-19-32-60)77-75(78-74)65-49-67(58-39-35-56(36-40-58)52-23-10-5-11-24-52)72(68(50-65)59-41-37-57(38-42-59)53-25-12-6-13-26-53)79-70-34-21-20-33-66(70)69-48-61(43-44-71(69)79)54-27-14-7-15-28-54/h3-50H,1-2H2/b22-4-.

What are the key properties of 9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole?

9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole has a molecular weight of 1009.27 g/mol, XLogP of 19.73, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole is sourced from PubChem (CID 155179728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).