5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole

C60H37N7 — CID 146626082

About 5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole

5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 146626082) has the molecular formula C60H37N7 and a molecular weight of 856.01 g/mol. Its IUPAC name is 5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole
• PubChem CID: 146626082
• Molecular Formula: C60H37N7
• Molecular Weight: 856.01 g/mol
• Exact Mass: 855.31
• IUPAC Name: 5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole
• SMILES: c1ccc(-n2c3ccccc3n3c4ccccc4nc23)c(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1
• InChI: InChI=1S/C60H37N7/c1-8-24-48(66-56-31-15-16-32-57(56)67-55-30-14-7-23-47(55)61-60(66)67)40(17-1)38-35-58(64-51-27-11-4-20-43(51)44-21-5-12-28-52(44)64)62-59(36-38)65-53-29-13-6-22-45(53)46-37-39(33-34-54(46)65)63-49-25-9-2-18-41(49)42-19-3-10-26-50(42)63/h1-37H
• InChIKey: PNBCVXZSFRGPFI-UHFFFAOYSA-N
• XLogP: 14.78
• TPSA: 49.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.01
LogP ≤ 5	14.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole (CID 146626082) is 5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-n2c3ccccc3n3c4ccccc4nc23)c(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.

What is the InChIKey of 5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole?

The InChIKey is PNBCVXZSFRGPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N7/c1-8-24-48(66-56-31-15-16-32-57(56)67-55-30-14-7-23-47(55)61-60(66)67)40(17-1)38-35-58(64-51-27-11-4-20-43(51)44-21-5-12-28-52(44)64)62-59(36-38)65-53-29-13-6-22-45(53)46-37-39(33-34-54(46)65)63-49-25-9-2-18-41(49)42-19-3-10-26-50(42)63/h1-37H.

What are the key properties of 5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole?

5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 856.01 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 146626082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).