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

C76H80N4O — CID 162248377

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

2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (PubChem CID 162248377) has the molecular formula C76H80N4O and a molecular weight of 1065.50 g/mol. Its IUPAC name is 2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• PubChem CID: 162248377
• Molecular Formula: C76H80N4O
• Molecular Weight: 1065.50 g/mol
• Exact Mass: 1064.63
• IUPAC Name: 2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cc(Oc2ccc3c4cc(C(C)(C)c5ccccc5)ccc4n(-c4cc(C(C)(C)c5ccccc5)ccn4)c3c2)cc(N2C=C(c3ccccc3)N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2)c1
• InChI: InChI=1S/C76H80N4O/c1-50(2)64-31-24-32-65(51(3)4)72(64)53-39-60(78-48-70(52-25-18-15-19-26-52)79(49-78)61-42-58(73(5,6)7)41-59(43-61)74(8,9)10)46-63(40-53)81-62-34-35-66-67-44-56(75(11,12)54-27-20-16-21-28-54)33-36-68(67)80(69(66)47-62)71-45-57(37-38-77-71)76(13,14)55-29-22-17-23-30-55/h15-48,50-51H,49H2,1-14H3
• InChIKey: CQLIXGQTMMFRGT-UHFFFAOYSA-N
• XLogP: 20.41
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.50
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (CID 162248377) is 2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

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

The canonical SMILES for 2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is CC(C)c1cccc(C(C)C)c1-c1cc(Oc2ccc3c4cc(C(C)(C)c5ccccc5)ccc4n(-c4cc(C(C)(C)c5ccccc5)ccn4)c3c2)cc(N2C=C(c3ccccc3)N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2)c1.

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

The InChIKey is CQLIXGQTMMFRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H80N4O/c1-50(2)64-31-24-32-65(51(3)4)72(64)53-39-60(78-48-70(52-25-18-15-19-26-52)79(49-78)61-42-58(73(5,6)7)41-59(43-61)74(8,9)10)46-63(40-53)81-62-34-35-66-67-44-56(75(11,12)54-27-20-16-21-28-54)33-36-68(67)80(69(66)47-62)71-45-57(37-38-77-71)76(13,14)55-29-22-17-23-30-55/h15-48,50-51H,49H2,1-14H3.

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

2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole has a molecular weight of 1065.50 g/mol, XLogP of 20.41, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 162248377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).