9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole

C61H50N4 — CID 167401969

About 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole

9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole (PubChem CID 167401969) has the molecular formula C61H50N4 and a molecular weight of 839.10 g/mol. Its IUPAC name is 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole
• PubChem CID: 167401969
• Molecular Formula: C61H50N4
• Molecular Weight: 839.10 g/mol
• Exact Mass: 838.40
• IUPAC Name: 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccnc(-n2c3ccccc3c3ccc(C4(c5cccc(N6CN(c7ccccc7)c7ccccc76)c5)c5ccccc5-c5ccccc54)cc32)c1
• InChI: InChI=1S/C61H50N4/c1-40(2)47-25-17-26-48(41(3)4)60(47)42-34-35-62-59(36-42)65-55-29-13-10-24-51(55)52-33-32-44(38-58(52)65)61(53-27-11-8-22-49(53)50-23-9-12-28-54(50)61)43-18-16-21-46(37-43)64-39-63(45-19-6-5-7-20-45)56-30-14-15-31-57(56)64/h5-38,40-41H,39H2,1-4H3
• InChIKey: ZFSQCHAKTLUXMG-UHFFFAOYSA-N
• XLogP: 15.70
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.10
LogP ≤ 5	15.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole?

The IUPAC name of 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole (CID 167401969) is 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole.

What is the SMILES notation for 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole?

The canonical SMILES for 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole is CC(C)c1cccc(C(C)C)c1-c1ccnc(-n2c3ccccc3c3ccc(C4(c5cccc(N6CN(c7ccccc7)c7ccccc76)c5)c5ccccc5-c5ccccc54)cc32)c1.

What is the InChIKey of 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole?

The InChIKey is ZFSQCHAKTLUXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H50N4/c1-40(2)47-25-17-26-48(41(3)4)60(47)42-34-35-62-59(36-42)65-55-29-13-10-24-51(55)52-33-32-44(38-58(52)65)61(53-27-11-8-22-49(53)50-23-9-12-28-54(50)61)43-18-16-21-46(37-43)64-39-63(45-19-6-5-7-20-45)56-30-14-15-31-57(56)64/h5-38,40-41H,39H2,1-4H3.

What are the key properties of 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole?

9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole has a molecular weight of 839.10 g/mol, XLogP of 15.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole is sourced from PubChem (CID 167401969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).