2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine

C119H81N8OP — CID 158755983

About 2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine

2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine (PubChem CID 158755983) has the molecular formula C119H81N8OP and a molecular weight of 1669.99 g/mol. Its IUPAC name is 2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine.

Molecular Properties

• Compound Name: 2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
• PubChem CID: 158755983
• Molecular Formula: C119H81N8OP
• Molecular Weight: 1669.99 g/mol
• Exact Mass: 1668.63
• IUPAC Name: 2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7nc(-c8ccccc8)c8cccc(-c9ccccc9)c8c7c6)cc5)n4)cc3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6cccc(-c7ccccc7)c6c5c4)cc3)n2)cc1
• InChI: InChI=1S/C61H42N4.C58H39N4OP/c1-61(2)53-24-13-12-21-49(53)50-35-33-47(38-54(50)61)40-27-31-45(32-28-40)60-64-58(43-19-10-5-11-20-43)63-59(65-60)44-29-25-39(26-30-44)46-34-36-55-52(37-46)56-48(41-15-6-3-7-16-41)22-14-23-51(56)57(62-55)42-17-8-4-9-18-42;63-64(47-23-12-4-13-24-47,48-25-14-5-15-26-48)49-36-33-45(34-37-49)58-61-56(43-21-10-3-11-22-43)60-57(62-58)44-31-29-40(30-32-44)46-35-38-53-52(39-46)54-50(41-17-6-1-7-18-41)27-16-28-51(54)55(59-53)42-19-8-2-9-20-42/h3-38H,1-2H3;1-39H
• InChIKey: IOBVYBWZZBNLJW-UHFFFAOYSA-N
• XLogP: 28.76
• TPSA: 120.19 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1669.99
LogP ≤ 5	28.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?

The IUPAC name of 2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine (CID 158755983) is 2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine.

What is the SMILES notation for 2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?

The canonical SMILES for 2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7nc(-c8ccccc8)c8cccc(-c9ccccc9)c8c7c6)cc5)n4)cc3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6cccc(-c7ccccc7)c6c5c4)cc3)n2)cc1.

What is the InChIKey of 2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?

The InChIKey is IOBVYBWZZBNLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N4.C58H39N4OP/c1-61(2)53-24-13-12-21-49(53)50-35-33-47(38-54(50)61)40-27-31-45(32-28-40)60-64-58(43-19-10-5-11-20-43)63-59(65-60)44-29-25-39(26-30-44)46-34-36-55-52(37-46)56-48(41-15-6-3-7-16-41)22-14-23-51(56)57(62-55)42-17-8-4-9-18-42;63-64(47-23-12-4-13-24-47,48-25-14-5-15-26-48)49-36-33-45(34-37-49)58-61-56(43-21-10-3-11-22-43)60-57(62-58)44-31-29-40(30-32-44)46-35-38-53-52(39-46)54-50(41-17-6-1-7-18-41)27-16-28-51(54)55(59-53)42-19-8-2-9-20-42/h3-38H,1-2H3;1-39H.

What are the key properties of 2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?

2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine has a molecular weight of 1669.99 g/mol, XLogP of 28.76, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine is sourced from PubChem (CID 158755983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).