1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline

C84H52N6 — CID 134189758

About 1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline

1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline (PubChem CID 134189758) has the molecular formula C84H52N6 and a molecular weight of 1145.38 g/mol. Its IUPAC name is 1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline.

Molecular Properties

• Compound Name: 1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline
• PubChem CID: 134189758
• Molecular Formula: C84H52N6
• Molecular Weight: 1145.38 g/mol
• Exact Mass: 1144.43
• IUPAC Name: 1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline
• SMILES: c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3ccc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc4c23)cc1
• InChI: InChI=1S/C84H52N6/c1-4-19-53(20-5-1)83-82-64-41-40-63(90-77-34-17-13-30-68(77)72-52-57(39-46-81(72)90)55-37-44-79-70(50-55)66-28-11-15-32-75(66)88(79)61-24-8-3-9-25-61)47-58(64)35-42-73(82)85-84(86-83)59-21-18-26-62(48-59)89-76-33-16-12-29-67(76)71-51-56(38-45-80(71)89)54-36-43-78-69(49-54)65-27-10-14-31-74(65)87(78)60-22-6-2-7-23-60/h1-52H
• InChIKey: ALVLYYMVKRJHJF-UHFFFAOYSA-N
• XLogP: 21.84
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.38
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline?

The IUPAC name of 1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline (CID 134189758) is 1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline.

What is the SMILES notation for 1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline?

The canonical SMILES for 1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3ccc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc4c23)cc1.

What is the InChIKey of 1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline?

The InChIKey is ALVLYYMVKRJHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H52N6/c1-4-19-53(20-5-1)83-82-64-41-40-63(90-77-34-17-13-30-68(77)72-52-57(39-46-81(72)90)55-37-44-79-70(50-55)66-28-11-15-32-75(66)88(79)61-24-8-3-9-25-61)47-58(64)35-42-73(82)85-84(86-83)59-21-18-26-62(48-59)89-76-33-16-12-29-67(76)71-51-56(38-45-80(71)89)54-36-43-78-69(49-54)65-27-10-14-31-74(65)87(78)60-22-6-2-7-23-60/h1-52H.

What are the key properties of 1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline?

1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline has a molecular weight of 1145.38 g/mol, XLogP of 21.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline is sourced from PubChem (CID 134189758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).