9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole

C79H55NO3P2 — CID 102583872

About 9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole

9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole (PubChem CID 102583872) has the molecular formula C79H55NO3P2 and a molecular weight of 1128.26 g/mol. Its IUPAC name is 9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
• PubChem CID: 102583872
• Molecular Formula: C79H55NO3P2
• Molecular Weight: 1128.26 g/mol
• Exact Mass: 1127.37
• IUPAC Name: 9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccc(-c2ccc(C3(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1P(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C79H55NO3P2/c81-84(63-23-5-1-6-24-63,64-25-7-2-8-26-64)77-40-22-21-39-75(77)83-76-54-47-59(55-78(76)85(82,65-27-9-3-10-28-65)66-29-11-4-12-30-66)58-43-50-61(51-44-58)79(71-35-17-13-31-67(71)68-32-14-18-36-72(68)79)60-48-41-56(42-49-60)57-45-52-62(53-46-57)80-73-37-19-15-33-69(73)70-34-16-20-38-74(70)80/h1-55H
• InChIKey: ZTBUUVDBAOTTQT-UHFFFAOYSA-N
• XLogP: 17.55
• TPSA: 48.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1128.26
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole?

The IUPAC name of 9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole (CID 102583872) is 9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole.

What is the SMILES notation for 9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole?

The canonical SMILES for 9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole is O=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccc(-c2ccc(C3(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1P(=O)(c1ccccc1)c1ccccc1.

What is the InChIKey of 9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole?

The InChIKey is ZTBUUVDBAOTTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H55NO3P2/c81-84(63-23-5-1-6-24-63,64-25-7-2-8-26-64)77-40-22-21-39-75(77)83-76-54-47-59(55-78(76)85(82,65-27-9-3-10-28-65)66-29-11-4-12-30-66)58-43-50-61(51-44-58)79(71-35-17-13-31-67(71)68-32-14-18-36-72(68)79)60-48-41-56(42-49-60)57-45-52-62(53-46-57)80-73-37-19-15-33-69(73)70-34-16-20-38-74(70)80/h1-55H.

What are the key properties of 9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole?

9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole has a molecular weight of 1128.26 g/mol, XLogP of 17.55, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[9-[4-[3-diphenylphosphoryl-4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 102583872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).