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

C60H56F2N4O — CID 172534157

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

2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-(4-propan-2-ylphenyl)phenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 172534157) has the molecular formula C60H56F2N4O and a molecular weight of 887.13 g/mol. Its IUPAC name is 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-(4-propan-2-ylphenyl)phenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-(4-propan-2-ylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
• PubChem CID: 172534157
• Molecular Formula: C60H56F2N4O
• Molecular Weight: 887.13 g/mol
• Exact Mass: 886.44
• IUPAC Name: 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-(4-propan-2-ylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
• SMILES: CC(C)c1ccc(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(N3CN(c4c(C(C)C)cc(-c5ccc(F)cc5F)cc4C(C)C)c4cc(C(C)C)ccc43)c2)cc1
• InChI: InChI=1S/C60H56F2N4O/c1-36(2)40-16-18-41(19-17-40)43-27-46(33-48(28-43)67-47-22-24-51-50-13-9-10-14-55(50)66(57(51)34-47)59-15-11-12-26-63-59)64-35-65(58-31-42(37(3)4)20-25-56(58)64)60-52(38(5)6)29-44(30-53(60)39(7)8)49-23-21-45(61)32-54(49)62/h9-34,36-39H,35H2,1-8H3
• InChIKey: QXSBQXLZQHNTJS-UHFFFAOYSA-N
• XLogP: 17.32
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.13
LogP ≤ 5	17.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-(4-propan-2-ylphenyl)phenoxy]-9-pyridin-2-ylcarbazole (CID 172534157) is 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-(4-propan-2-ylphenyl)phenoxy]-9-pyridin-2-ylcarbazole.

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

The canonical SMILES for 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-(4-propan-2-ylphenyl)phenoxy]-9-pyridin-2-ylcarbazole is CC(C)c1ccc(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(N3CN(c4c(C(C)C)cc(-c5ccc(F)cc5F)cc4C(C)C)c4cc(C(C)C)ccc43)c2)cc1.

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

The InChIKey is QXSBQXLZQHNTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H56F2N4O/c1-36(2)40-16-18-41(19-17-40)43-27-46(33-48(28-43)67-47-22-24-51-50-13-9-10-14-55(50)66(57(51)34-47)59-15-11-12-26-63-59)64-35-65(58-31-42(37(3)4)20-25-56(58)64)60-52(38(5)6)29-44(30-53(60)39(7)8)49-23-21-45(61)32-54(49)62/h9-34,36-39H,35H2,1-8H3.

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

2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-(4-propan-2-ylphenyl)phenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 887.13 g/mol, XLogP of 17.32, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-(4-propan-2-ylphenyl)phenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 172534157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).