2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole

C65H74N4O — CID 170934958

About 2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 170934958) has the molecular formula C65H74N4O and a molecular weight of 927.33 g/mol. Its IUPAC name is 2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 170934958
• Molecular Formula: C65H74N4O
• Molecular Weight: 927.33 g/mol
• Exact Mass: 926.59
• IUPAC Name: 2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)c1cc(Oc2ccc3c4cc(C(C)(C)C)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C2=NC(C)(C)[C@](C)(C(c3ccccc3)c3ccccc3)N2c2c(C(C)C)cccc2C(C)C)c1
• InChI: InChI=1S/C65H74N4O/c1-41(2)46-35-47(37-51(36-46)70-50-30-31-54-55-38-48(62(7,8)9)29-32-56(55)68(57(54)40-50)58-39-49(33-34-66-58)63(10,11)12)61-67-64(13,14)65(15,59(44-23-18-16-19-24-44)45-25-20-17-21-26-45)69(61)60-52(42(3)4)27-22-28-53(60)43(5)6/h16-43,59H,1-15H3/t65-/m0/s1
• InChIKey: WYOOZRZOSDKFFR-FZWUFXCXSA-N
• XLogP: 17.57
• TPSA: 42.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.33
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 170934958) is 2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?

The canonical SMILES for 2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)c1cc(Oc2ccc3c4cc(C(C)(C)C)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C2=NC(C)(C)[C@](C)(C(c3ccccc3)c3ccccc3)N2c2c(C(C)C)cccc2C(C)C)c1.

What is the InChIKey of 2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?

The InChIKey is WYOOZRZOSDKFFR-FZWUFXCXSA-N. The full InChI is InChI=1S/C65H74N4O/c1-41(2)46-35-47(37-51(36-46)70-50-30-31-54-55-38-48(62(7,8)9)29-32-56(55)68(57(54)40-50)58-39-49(33-34-66-58)63(10,11)12)61-67-64(13,14)65(15,59(44-23-18-16-19-24-44)45-25-20-17-21-26-45)69(61)60-52(42(3)4)27-22-28-53(60)43(5)6/h16-43,59H,1-15H3/t65-/m0/s1.

What are the key properties of 2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?

2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 927.33 g/mol, XLogP of 17.57, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(5S)-5-benzhydryl-1-[2,6-di(propan-2-yl)phenyl]-4,4,5-trimethylimidazol-2-yl]-5-propan-2-ylphenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 170934958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).