4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole

C133H140N4 — CID 159330147

About 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole

4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole (PubChem CID 159330147) has the molecular formula C133H140N4 and a molecular weight of 1798.64 g/mol. Its IUPAC name is 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole.

Molecular Properties

• Compound Name: 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
• PubChem CID: 159330147
• Molecular Formula: C133H140N4
• Molecular Weight: 1798.64 g/mol
• Exact Mass: 1797.13
• IUPAC Name: 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
• SMILES: CC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)c(-c4ccccc4)ccc2n3-c2ccccc2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)c(-n4c5ccccc5c5ccccc54)ccc2n3-c2ccccc2)cc(C(C)(C)C)c1.[2H]c1c([2H])c(C)c([2H])c(-c2ccc3c(c2C(C)(C)C)c2c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cccc2n3-c2ccccc2)c1[2H]
• InChI: InChI=1S/C48H48N2.C43H47N.C42H45N/c1-46(2,3)32-28-31(29-33(30-32)47(4,5)6)35-22-17-25-40-43(35)44-41(49(40)34-18-11-10-12-19-34)26-27-42(45(44)48(7,8)9)50-38-23-15-13-20-36(38)37-21-14-16-24-39(37)50;1-28-16-14-17-29(24-28)35-22-23-37-39(40(35)43(8,9)10)38-34(20-15-21-36(38)44(37)33-18-12-11-13-19-33)30-25-31(41(2,3)4)27-32(26-30)42(5,6)7;1-40(2,3)30-25-29(26-31(27-30)41(4,5)6)33-21-16-22-35-37(33)38-36(43(35)32-19-14-11-15-20-32)24-23-34(39(38)42(7,8)9)28-17-12-10-13-18-28/h10-30H,1-9H3;11-27H,1-10H3;10-27H,1-9H3/i;14D,16D,17D,24D
• InChIKey: LEWITQLUXGLTKE-ZIUINHMISA-N
• XLogP: 37.77
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1798.64
LogP ≤ 5	37.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole?

The IUPAC name of 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole (CID 159330147) is 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole.

What is the SMILES notation for 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole?

The canonical SMILES for 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole is CC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)c(-c4ccccc4)ccc2n3-c2ccccc2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)c(-n4c5ccccc5c5ccccc54)ccc2n3-c2ccccc2)cc(C(C)(C)C)c1.[2H]c1c([2H])c(C)c([2H])c(-c2ccc3c(c2C(C)(C)C)c2c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cccc2n3-c2ccccc2)c1[2H].

What is the InChIKey of 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole?

The InChIKey is LEWITQLUXGLTKE-ZIUINHMISA-N. The full InChI is InChI=1S/C48H48N2.C43H47N.C42H45N/c1-46(2,3)32-28-31(29-33(30-32)47(4,5)6)35-22-17-25-40-43(35)44-41(49(40)34-18-11-10-12-19-34)26-27-42(45(44)48(7,8)9)50-38-23-15-13-20-36(38)37-21-14-16-24-39(37)50;1-28-16-14-17-29(24-28)35-22-23-37-39(40(35)43(8,9)10)38-34(20-15-21-36(38)44(37)33-18-12-11-13-19-33)30-25-31(41(2,3)4)27-32(26-30)42(5,6)7;1-40(2,3)30-25-29(26-31(27-30)41(4,5)6)33-21-16-22-35-37(33)38-36(43(35)32-19-14-11-15-20-32)24-23-34(39(38)42(7,8)9)28-17-12-10-13-18-28/h10-30H,1-9H3;11-27H,1-10H3;10-27H,1-9H3/i;14D,16D,17D,24D;.

What are the key properties of 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole?

4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole has a molecular weight of 1798.64 g/mol, XLogP of 37.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole is sourced from PubChem (CID 159330147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).