2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole

C64H65FN4O — CID 172534411

About 2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole

2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 172534411) has the molecular formula C64H65FN4O and a molecular weight of 925.25 g/mol. Its IUPAC name is 2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole
• PubChem CID: 172534411
• Molecular Formula: C64H65FN4O
• Molecular Weight: 925.25 g/mol
• Exact Mass: 924.51
• IUPAC Name: 2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole
• SMILES: Cc1ccc2c(c1)N(c1c(C(C)C)cc(-c3ccc(F)cc3)cc1C(C)C)CN2c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1
• InChI: InChI=1S/C64H65FN4O/c1-38(2)45-31-54(39(3)4)63(55(32-45)40(5)6)47-29-49(35-51(30-47)70-50-24-25-53-52-16-12-13-17-58(52)69(60(53)36-50)62-18-14-15-27-66-62)67-37-68(61-28-43(11)19-26-59(61)67)64-56(41(7)8)33-46(34-57(64)42(9)10)44-20-22-48(65)23-21-44/h12-36,38-42H,37H2,1-11H3
• InChIKey: VNHIKAVNRAVFJY-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.25
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole?

The IUPAC name of 2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole (CID 172534411) is 2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole.

What is the SMILES notation for 2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole?

The canonical SMILES for 2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole is Cc1ccc2c(c1)N(c1c(C(C)C)cc(-c3ccc(F)cc3)cc1C(C)C)CN2c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1.

What is the InChIKey of 2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole?

The InChIKey is VNHIKAVNRAVFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H65FN4O/c1-38(2)45-31-54(39(3)4)63(55(32-45)40(5)6)47-29-49(35-51(30-47)70-50-24-25-53-52-16-12-13-17-58(52)69(60(53)36-50)62-18-14-15-27-66-62)67-37-68(61-28-43(11)19-26-59(61)67)64-56(41(7)8)33-46(34-57(64)42(9)10)44-20-22-48(65)23-21-44/h12-36,38-42H,37H2,1-11H3.

What are the key properties of 2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole?

2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 925.25 g/mol, XLogP of 18.62, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 172534411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).