4-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

C70H68N4O — CID 158862809

About 4-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

4-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (PubChem CID 158862809) has the molecular formula C70H68N4O and a molecular weight of 981.34 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• PubChem CID: 158862809
• Molecular Formula: C70H68N4O
• Molecular Weight: 981.34 g/mol
• Exact Mass: 980.54
• IUPAC Name: 4-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• SMILES: CC(C)(C)c1cc(-c2ccccc2)cc(N2CN(c3cc(Oc4cc(C(C)(C)C)c5c6ccccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)cc(-c4ccccc4)c3)C=C2C(C)(C)c2ccccc2)c1
• InChI: InChI=1S/C70H68N4O/c1-67(2,3)55-37-50(48-25-15-11-16-26-48)39-57(41-55)73-47-72(46-64(73)70(9,10)53-31-21-14-22-32-53)56-38-51(49-27-17-12-18-28-49)40-58(43-56)75-59-44-61(68(4,5)6)66-60-33-23-24-34-62(60)74(63(66)45-59)65-42-54(35-36-71-65)69(7,8)52-29-19-13-20-30-52/h11-46H,47H2,1-10H3
• InChIKey: XZCKDCXWXHULGK-UHFFFAOYSA-N
• XLogP: 18.33
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.34
LogP ≤ 5	18.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (CID 158862809) is 4-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

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

The canonical SMILES for 4-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is CC(C)(C)c1cc(-c2ccccc2)cc(N2CN(c3cc(Oc4cc(C(C)(C)C)c5c6ccccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)cc(-c4ccccc4)c3)C=C2C(C)(C)c2ccccc2)c1.

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

The InChIKey is XZCKDCXWXHULGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H68N4O/c1-67(2,3)55-37-50(48-25-15-11-16-26-48)39-57(41-55)73-47-72(46-64(73)70(9,10)53-31-21-14-22-32-53)56-38-51(49-27-17-12-18-28-49)40-58(43-56)75-59-44-61(68(4,5)6)66-60-33-23-24-34-62(60)74(63(66)45-59)65-42-54(35-36-71-65)69(7,8)52-29-19-13-20-30-52/h11-46H,47H2,1-10H3.

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

4-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole has a molecular weight of 981.34 g/mol, XLogP of 18.33, 11 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-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 158862809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).