3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline

C174H108N12 — CID 158745072

About 3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline

3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline (PubChem CID 158745072) has the molecular formula C174H108N12 and a molecular weight of 2366.86 g/mol. Its IUPAC name is 3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline.

Molecular Properties

• Compound Name: 3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline
• PubChem CID: 158745072
• Molecular Formula: C174H108N12
• Molecular Weight: 2366.86 g/mol
• Exact Mass: 2364.88
• IUPAC Name: 3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc4ccc5ccccc5c34)c2)cc1.c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3ccc4ccccc4c23)cc1
• InChI: InChI=1S/C90H56N6.C84H52N6/c1-4-21-57(22-5-1)59-24-20-25-64(49-59)89-88-70-30-11-10-23-58(70)39-44-79(88)91-90(92-89)65-50-68(95-82-37-18-14-33-73(82)77-54-62(42-47-86(77)95)60-40-45-84-75(52-60)71-31-12-16-35-80(71)93(84)66-26-6-2-7-27-66)56-69(51-65)96-83-38-19-15-34-74(83)78-55-63(43-48-87(78)96)61-41-46-85-76(53-61)72-32-13-17-36-81(72)94(85)67-28-8-3-9-29-67;1-4-21-54(22-5-1)83-82-64-27-11-10-20-53(64)36-41-73(82)85-84(86-83)59-46-62(89-76-34-18-14-30-67(76)71-50-57(39-44-80(71)89)55-37-42-78-69(48-55)65-28-12-16-32-74(65)87(78)60-23-6-2-7-24-60)52-63(47-59)90-77-35-19-15-31-68(77)72-51-58(40-45-81(72)90)56-38-43-79-70(49-56)66-29-13-17-33-75(66)88(79)61-25-8-3-9-26-61/h1-56H;1-52H
• InChIKey: IMUBMOGCULVOCA-UHFFFAOYSA-N
• XLogP: 45.35
• TPSA: 91.00 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2366.86
LogP ≤ 5	45.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline?

The IUPAC name of 3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline (CID 158745072) is 3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline.

What is the SMILES notation for 3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline?

The canonical SMILES for 3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline is c1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc4ccc5ccccc5c34)c2)cc1.c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3ccc4ccccc4c23)cc1.

What is the InChIKey of 3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline?

The InChIKey is IMUBMOGCULVOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H56N6.C84H52N6/c1-4-21-57(22-5-1)59-24-20-25-64(49-59)89-88-70-30-11-10-23-58(70)39-44-79(88)91-90(92-89)65-50-68(95-82-37-18-14-33-73(82)77-54-62(42-47-86(77)95)60-40-45-84-75(52-60)71-31-12-16-35-80(71)93(84)66-26-6-2-7-27-66)56-69(51-65)96-83-38-19-15-34-74(83)78-55-63(43-48-87(78)96)61-41-46-85-76(53-61)72-32-13-17-36-81(72)94(85)67-28-8-3-9-29-67;1-4-21-54(22-5-1)83-82-64-27-11-10-20-53(64)36-41-73(82)85-84(86-83)59-46-62(89-76-34-18-14-30-67(76)71-50-57(39-44-80(71)89)55-37-42-78-69(48-55)65-28-12-16-32-74(65)87(78)60-23-6-2-7-24-60)52-63(47-59)90-77-35-19-15-31-68(77)72-51-58(40-45-81(72)90)56-38-43-79-70(49-56)66-29-13-17-33-75(66)88(79)61-25-8-3-9-26-61/h1-56H;1-52H.

What are the key properties of 3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline?

3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline has a molecular weight of 2366.86 g/mol, XLogP of 45.35, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline is sourced from PubChem (CID 158745072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).