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

C66H76N4O — CID 159262514

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

4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (PubChem CID 159262514) has the molecular formula C66H76N4O and a molecular weight of 941.36 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• PubChem CID: 159262514
• Molecular Formula: C66H76N4O
• Molecular Weight: 941.36 g/mol
• Exact Mass: 940.60
• IUPAC Name: 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• SMILES: CC(C)(C)c1cc(Oc2cc(C(C)(C)C)c3c4ccccc4n(-c4cc(C(C)(C)c5ccccc5)ccn4)c3c2)cc(N2CN(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C=C2C(C)(C)c2ccccc2)c1
• InChI: InChI=1S/C66H76N4O/c1-61(2,3)47-33-48(62(4,5)6)35-50(34-47)68-42-58(66(15,16)45-27-21-18-22-28-45)69(43-68)51-36-49(63(7,8)9)37-52(39-51)71-53-40-55(64(10,11)12)60-54-29-23-24-30-56(54)70(57(60)41-53)59-38-46(31-32-67-59)65(13,14)44-25-19-17-20-26-44/h17-42H,43H2,1-16H3
• InChIKey: XSTCVMNJCGZVEJ-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.36
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (CID 159262514) is 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

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

The canonical SMILES for 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is CC(C)(C)c1cc(Oc2cc(C(C)(C)C)c3c4ccccc4n(-c4cc(C(C)(C)c5ccccc5)ccn4)c3c2)cc(N2CN(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C=C2C(C)(C)c2ccccc2)c1.

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

The InChIKey is XSTCVMNJCGZVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H76N4O/c1-61(2,3)47-33-48(62(4,5)6)35-50(34-47)68-42-58(66(15,16)45-27-21-18-22-28-45)69(43-68)51-36-49(63(7,8)9)37-52(39-51)71-53-40-55(64(10,11)12)60-54-29-23-24-30-56(54)70(57(60)41-53)59-38-46(31-32-67-59)65(13,14)44-25-19-17-20-26-44/h17-42H,43H2,1-16H3.

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

4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole has a molecular weight of 941.36 g/mol, XLogP of 17.59, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 159262514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).