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

C58H60N4O — CID 162061748

About 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (PubChem CID 162061748) has the molecular formula C58H60N4O and a molecular weight of 829.15 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• PubChem CID: 162061748
• Molecular Formula: C58H60N4O
• Molecular Weight: 829.15 g/mol
• Exact Mass: 828.48
• IUPAC Name: 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• SMILES: CC(C)(C)c1cccc(N2CN(c3cccc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)c3)C=C2C(C)(C)c2ccccc2)c1
• InChI: InChI=1S/C58H60N4O/c1-55(2,3)42-23-17-25-46(33-42)61-39-60(38-53(61)58(9,10)41-21-15-12-16-22-41)45-24-18-26-47(36-45)63-48-28-29-49-50-34-43(56(4,5)6)27-30-51(50)62(52(49)37-48)54-35-44(31-32-59-54)57(7,8)40-19-13-11-14-20-40/h11-38H,39H2,1-10H3
• InChIKey: SLUBFXFLJFMPRQ-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.15
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (CID 162061748) is 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

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

The canonical SMILES for 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is CC(C)(C)c1cccc(N2CN(c3cccc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)c3)C=C2C(C)(C)c2ccccc2)c1.

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

The InChIKey is SLUBFXFLJFMPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H60N4O/c1-55(2,3)42-23-17-25-46(33-42)61-39-60(38-53(61)58(9,10)41-21-15-12-16-22-41)45-24-18-26-47(36-45)63-48-28-29-49-50-34-43(56(4,5)6)27-30-51(50)62(52(49)37-48)54-35-44(31-32-59-54)57(7,8)40-19-13-11-14-20-40/h11-38H,39H2,1-10H3.

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

6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole has a molecular weight of 829.15 g/mol, XLogP of 15.00, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 162061748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).