2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C66H67F3N4O — CID 172531705

About 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 172531705) has the molecular formula C66H67F3N4O and a molecular weight of 989.28 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 172531705
• Molecular Formula: C66H67F3N4O
• Molecular Weight: 989.28 g/mol
• Exact Mass: 988.53
• IUPAC Name: 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)c1cc(-c2cc(C(C)(C)C)cc(-c3c(F)cc(F)cc3F)c2N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c3ccccc32)cc(C(C)C)c1
• InChI: InChI=1S/C66H67F3N4O/c1-39(2)41-26-42(40(3)4)28-43(27-41)53-31-46(66(11,12)13)32-54(62-55(68)34-47(67)35-56(62)69)63(53)72-38-71(58-20-16-17-21-59(58)72)48-29-45(65(8,9)10)30-50(36-48)74-49-22-23-52-51-18-14-15-19-57(51)73(60(52)37-49)61-33-44(24-25-70-61)64(5,6)7/h14-37,39-40H,38H2,1-13H3
• InChIKey: SGVCSXHIQMJGAB-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.28
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 172531705) is 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The canonical SMILES for 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)c1cc(-c2cc(C(C)(C)C)cc(-c3c(F)cc(F)cc3F)c2N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c3ccccc32)cc(C(C)C)c1.

What is the InChIKey of 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The InChIKey is SGVCSXHIQMJGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H67F3N4O/c1-39(2)41-26-42(40(3)4)28-43(27-41)53-31-46(66(11,12)13)32-54(62-55(68)34-47(67)35-56(62)69)63(53)72-38-71(58-20-16-17-21-59(58)72)48-29-45(65(8,9)10)30-50(36-48)74-49-22-23-52-51-18-14-15-19-57(51)73(60(52)37-49)61-33-44(24-25-70-61)64(5,6)7/h14-37,39-40H,38H2,1-13H3.

What are the key properties of 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 989.28 g/mol, XLogP of 19.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 172531705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).