N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine

C91H59N3 — CID 89492077

About N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine

N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 89492077) has the molecular formula C91H59N3 and a molecular weight of 1194.49 g/mol. Its IUPAC name is N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
• PubChem CID: 89492077
• Molecular Formula: C91H59N3
• Molecular Weight: 1194.49 g/mol
• Exact Mass: 1193.47
• IUPAC Name: N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)ccc2n3-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
• InChI: InChI=1S/C91H59N3/c1-6-22-60(23-7-1)63-40-50-87-81(54-63)82-55-64(61-24-8-2-9-25-61)41-51-88(82)94(87)71-47-53-90-84(58-71)83-56-65(42-52-89(83)93(90)70-45-48-77-75-34-17-16-32-73(75)74-33-18-19-35-76(74)80(77)57-70)62-38-43-69(44-39-62)92(68-30-14-5-15-31-68)72-46-49-79-78-36-20-21-37-85(78)91(86(79)59-72,66-26-10-3-11-27-66)67-28-12-4-13-29-67/h1-59H
• InChIKey: UZLUEWOYKQVSQO-UHFFFAOYSA-N
• XLogP: 24.17
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1194.49
LogP ≤ 5	24.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine?

The IUPAC name of N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine (CID 89492077) is N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine.

What is the SMILES notation for N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine?

The canonical SMILES for N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)ccc2n3-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.

What is the InChIKey of N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine?

The InChIKey is UZLUEWOYKQVSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H59N3/c1-6-22-60(23-7-1)63-40-50-87-81(54-63)82-55-64(61-24-8-2-9-25-61)41-51-88(82)94(87)71-47-53-90-84(58-71)83-56-65(42-52-89(83)93(90)70-45-48-77-75-34-17-16-32-73(75)74-33-18-19-35-76(74)80(77)57-70)62-38-43-69(44-39-62)92(68-30-14-5-15-31-68)72-46-49-79-78-36-20-21-37-85(78)91(86(79)59-72,66-26-10-3-11-27-66)67-28-12-4-13-29-67/h1-59H.

What are the key properties of N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine?

N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine has a molecular weight of 1194.49 g/mol, XLogP of 24.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 89492077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).