3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole

C56H64N2 — CID 167289801

About 3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole

3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole (PubChem CID 167289801) has the molecular formula C56H64N2 and a molecular weight of 765.14 g/mol. Its IUPAC name is 3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole.

Molecular Properties

• Compound Name: 3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole
• PubChem CID: 167289801
• Molecular Formula: C56H64N2
• Molecular Weight: 765.14 g/mol
• Exact Mass: 764.51
• IUPAC Name: 3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3cc(-n4c5ccccc5c5ccccc54)c(C(C)(C)C)c(C(C)(C)C)c3)ccc1n2-c1ccccc1C(C)(C)C
• InChI: InChI=1S/C56H64N2/c1-52(2,3)37-27-29-47-41(33-37)42-34-38(28-30-48(42)57(47)49-26-20-17-23-43(49)53(4,5)6)56(13,14)35-36-31-44(54(7,8)9)51(55(10,11)12)50(32-36)58-45-24-18-15-21-39(45)40-22-16-19-25-46(40)58/h15-34H,35H2,1-14H3
• InChIKey: KCTFLZBZMWRHQU-UHFFFAOYSA-N
• XLogP: 15.59
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.14
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole?

The IUPAC name of 3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole (CID 167289801) is 3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole.

What is the SMILES notation for 3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole?

The canonical SMILES for 3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3cc(-n4c5ccccc5c5ccccc54)c(C(C)(C)C)c(C(C)(C)C)c3)ccc1n2-c1ccccc1C(C)(C)C.

What is the InChIKey of 3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole?

The InChIKey is KCTFLZBZMWRHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H64N2/c1-52(2,3)37-27-29-47-41(33-37)42-34-38(28-30-48(42)57(47)49-26-20-17-23-43(49)53(4,5)6)56(13,14)35-36-31-44(54(7,8)9)51(55(10,11)12)50(32-36)58-45-24-18-15-21-39(45)40-22-16-19-25-46(40)58/h15-34H,35H2,1-14H3.

What are the key properties of 3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole?

3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole has a molecular weight of 765.14 g/mol, XLogP of 15.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole is sourced from PubChem (CID 167289801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).