6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene

C79H67N3P2 — CID 88887964

About 6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene

6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene (PubChem CID 88887964) has the molecular formula C79H67N3P2 and a molecular weight of 1120.37 g/mol. Its IUPAC name is 6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene.

Molecular Properties

• Compound Name: 6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene
• PubChem CID: 88887964
• Molecular Formula: C79H67N3P2
• Molecular Weight: 1120.37 g/mol
• Exact Mass: 1119.48
• IUPAC Name: 6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene
• SMILES: C1=CCCC(C2=NP(c3cc(C4=CC=CCC4)cc(-c4ccccc4)c3)(c3cc(C4=CC=CCC4)cc(C4C=CC=CC4)c3)=NP(c3cc(C4=CC=CCC4)cc(-c4ccccc4)c3)(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)=N2)=C1
• InChI: InChI=1S/C79H67N3P2/c1-10-28-58(29-11-1)67-46-68(59-30-12-2-13-31-59)51-75(50-67)83(76-52-69(60-32-14-3-15-33-60)47-70(53-76)61-34-16-4-17-35-61)80-79(66-44-26-9-27-45-66)81-84(82-83,77-54-71(62-36-18-5-19-37-62)48-72(55-77)63-38-20-6-21-39-63)78-56-73(64-40-22-7-23-41-64)49-74(57-78)65-42-24-8-25-43-65/h1-16,18-20,22-24,26,28-34,36-38,40,42,44,46-57,64H,17,21,25,27,35,39,41,43,45H2
• InChIKey: UPKUOINLHCTMBQ-UHFFFAOYSA-N
• XLogP: 20.68
• TPSA: 37.08 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1120.37
LogP ≤ 5	20.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene?

The IUPAC name of 6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene (CID 88887964) is 6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene.

What is the SMILES notation for 6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene?

The canonical SMILES for 6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene is C1=CCCC(C2=NP(c3cc(C4=CC=CCC4)cc(-c4ccccc4)c3)(c3cc(C4=CC=CCC4)cc(C4C=CC=CC4)c3)=NP(c3cc(C4=CC=CCC4)cc(-c4ccccc4)c3)(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)=N2)=C1.

What is the InChIKey of 6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene?

The InChIKey is UPKUOINLHCTMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H67N3P2/c1-10-28-58(29-11-1)67-46-68(59-30-12-2-13-31-59)51-75(50-67)83(76-52-69(60-32-14-3-15-33-60)47-70(53-76)61-34-16-4-17-35-61)80-79(66-44-26-9-27-45-66)81-84(82-83,77-54-71(62-36-18-5-19-37-62)48-72(55-77)63-38-20-6-21-39-63)78-56-73(64-40-22-7-23-41-64)49-74(57-78)65-42-24-8-25-43-65/h1-16,18-20,22-24,26,28-34,36-38,40,42,44,46-57,64H,17,21,25,27,35,39,41,43,45H2.

What are the key properties of 6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene?

6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene has a molecular weight of 1120.37 g/mol, XLogP of 20.68, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene is sourced from PubChem (CID 88887964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).