2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline

C105H63N11 — CID 134513502

About 2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline

2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134513502) has the molecular formula C105H63N11 and a molecular weight of 1478.74 g/mol. Its IUPAC name is 2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

• Compound Name: 2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
• PubChem CID: 134513502
• Molecular Formula: C105H63N11
• Molecular Weight: 1478.74 g/mol
• Exact Mass: 1477.53
• IUPAC Name: 2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cc5c6ccccc6n(-c6nc7ccccc7c7nc8ccccc8n67)c5c5ccccc45)cc3)cc(-c3cccc(-c4ccc5nc(-n6c7ccccc7c7cc(-c8cccc(-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)c8ccccc8c76)n6c7ccccc7nc6c5c4)c3)n2)cc1
• InChI: InChI=1S/C105H63N11/c1-4-26-66(27-5-1)91-59-74(64-50-52-65(53-51-64)82-61-84-77-38-15-20-46-95(77)113(99(84)79-40-12-10-36-75(79)82)104-111-87-43-17-14-42-81(87)102-109-89-44-18-22-48-97(89)115(102)104)60-92(106-91)72-34-24-32-69(56-72)70-54-55-88-86(58-70)103-110-90-45-19-23-49-98(90)116(103)105(112-88)114-96-47-21-16-39-78(96)85-62-83(76-37-11-13-41-80(76)100(85)114)71-33-25-35-73(57-71)94-63-93(67-28-6-2-7-29-67)107-101(108-94)68-30-8-3-9-31-68/h1-63H
• InChIKey: BVIQCDIJCJTAEK-UHFFFAOYSA-N
• XLogP: 26.07
• TPSA: 108.91 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1478.74
LogP ≤ 5	26.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?

The IUPAC name of 2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (CID 134513502) is 2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.

What is the SMILES notation for 2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?

The canonical SMILES for 2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is c1ccc(-c2cc(-c3ccc(-c4cc5c6ccccc6n(-c6nc7ccccc7c7nc8ccccc8n67)c5c5ccccc45)cc3)cc(-c3cccc(-c4ccc5nc(-n6c7ccccc7c7cc(-c8cccc(-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)c8ccccc8c76)n6c7ccccc7nc6c5c4)c3)n2)cc1.

What is the InChIKey of 2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?

The InChIKey is BVIQCDIJCJTAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H63N11/c1-4-26-66(27-5-1)91-59-74(64-50-52-65(53-51-64)82-61-84-77-38-15-20-46-95(77)113(99(84)79-40-12-10-36-75(79)82)104-111-87-43-17-14-42-81(87)102-109-89-44-18-22-48-97(89)115(102)104)60-92(106-91)72-34-24-32-69(56-72)70-54-55-88-86(58-70)103-110-90-45-19-23-49-98(90)116(103)105(112-88)114-96-47-21-16-39-78(96)85-62-83(76-37-11-13-41-80(76)100(85)114)71-33-25-35-73(57-71)94-63-93(67-28-6-2-7-29-67)107-101(108-94)68-30-8-3-9-31-68/h1-63H.

What are the key properties of 2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?

2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 1478.74 g/mol, XLogP of 26.07, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134513502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).