9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole

C65H74N4O — CID 158646134

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole (PubChem CID 158646134) has the molecular formula C65H74N4O and a molecular weight of 927.33 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
• PubChem CID: 158646134
• Molecular Formula: C65H74N4O
• Molecular Weight: 927.33 g/mol
• Exact Mass: 926.59
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
• SMILES: CC(C)c1cccc(C(C)C)c1C1=CN(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CN1c1cccc(Oc2ccc3c4cc(C(C)(C)c5ccccc5)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1
• InChI: InChI=1S/C65H74N4O/c1-42(2)53-25-20-26-54(43(3)4)61(53)59-40-67(50-34-47(63(8,9)10)33-48(35-50)64(11,12)13)41-68(59)49-23-19-24-51(38-49)70-52-28-29-55-56-36-46(65(14,15)44-21-17-16-18-22-44)27-30-57(56)69(58(55)39-52)60-37-45(31-32-66-60)62(5,6)7/h16-40,42-43H,41H2,1-15H3
• InChIKey: XUHKJECOGBHBCS-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.33
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole (CID 158646134) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole is CC(C)c1cccc(C(C)C)c1C1=CN(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CN1c1cccc(Oc2ccc3c4cc(C(C)(C)c5ccccc5)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1.

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

The InChIKey is XUHKJECOGBHBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H74N4O/c1-42(2)53-25-20-26-54(43(3)4)61(53)59-40-67(50-34-47(63(8,9)10)33-48(35-50)64(11,12)13)41-68(59)49-23-19-24-51(38-49)70-52-28-29-55-56-36-46(65(14,15)44-21-17-16-18-22-44)27-30-57(56)69(58(55)39-52)60-37-45(31-32-66-60)62(5,6)7/h16-40,42-43H,41H2,1-15H3.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole has a molecular weight of 927.33 g/mol, XLogP of 17.72, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole is sourced from PubChem (CID 158646134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).