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

C135H152N4 — CID 159479445

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

4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-9-(3,5-ditert-butylphenyl)-5-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole (PubChem CID 159479445) has the molecular formula C135H152N4 and a molecular weight of 1839.78 g/mol. Its IUPAC name is 4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-9-(3,5-ditert-butylphenyl)-5-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole.

Molecular Properties

• Compound Name: 4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-9-(3,5-ditert-butylphenyl)-5-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
• PubChem CID: 159479445
• Molecular Formula: C135H152N4
• Molecular Weight: 1839.78 g/mol
• Exact Mass: 1838.26
• IUPAC Name: 4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-9-(3,5-ditert-butylphenyl)-5-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
• SMILES: CC(C)(C)c1cc(-n2c3cccc(-c4ccccc4)c3c3c(C(C)(C)C)c(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)cc(C(C)(C)C)c1.[2H]c1c([2H])c(C)c([2H])c(-c2cccc3c2c2c(C(C)(C)C)cccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(-c4ccccc4)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c([2H])c1[2H]
• InChI: InChI=1S/C56H64N2.C42H45N.C37H43N/c1-52(2,3)36-24-26-44-42(33-36)43-34-37(53(4,5)6)25-27-45(43)58(44)48-29-28-47-50(51(48)56(13,14)15)49-41(35-20-17-16-18-21-35)22-19-23-46(49)57(47)40-31-38(54(7,8)9)30-39(32-40)55(10,11)12;1-40(2,3)30-25-31(41(4,5)6)27-32(26-30)43-35-22-16-21-33(28-17-12-10-13-18-28)37(35)38-36(43)24-23-34(39(38)42(7,8)9)29-19-14-11-15-20-29;1-24-14-11-15-25(20-24)29-16-12-18-31-33(29)34-30(37(8,9)10)17-13-19-32(34)38(31)28-22-26(35(2,3)4)21-27(23-28)36(5,6)7/h16-34H,1-15H3;10-27H,1-9H3;11-23H,1-10H3/i;10D,12D,13D,17D,18D;11D,14D,15D,20D
• InChIKey: LWUVJUKSPZBHHN-HJDKAPRDSA-N
• XLogP: 38.70
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1839.78
LogP ≤ 5	38.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-9-(3,5-ditert-butylphenyl)-5-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole (CID 159479445) is 4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-9-(3,5-ditert-butylphenyl)-5-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole.

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

The canonical SMILES for 4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-9-(3,5-ditert-butylphenyl)-5-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole is CC(C)(C)c1cc(-n2c3cccc(-c4ccccc4)c3c3c(C(C)(C)C)c(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)cc(C(C)(C)C)c1.[2H]c1c([2H])c(C)c([2H])c(-c2cccc3c2c2c(C(C)(C)C)cccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(-c4ccccc4)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c([2H])c1[2H].

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

The InChIKey is LWUVJUKSPZBHHN-HJDKAPRDSA-N. The full InChI is InChI=1S/C56H64N2.C42H45N.C37H43N/c1-52(2,3)36-24-26-44-42(33-36)43-34-37(53(4,5)6)25-27-45(43)58(44)48-29-28-47-50(51(48)56(13,14)15)49-41(35-20-17-16-18-21-35)22-19-23-46(49)57(47)40-31-38(54(7,8)9)30-39(32-40)55(10,11)12;1-40(2,3)30-25-31(41(4,5)6)27-32(26-30)43-35-22-16-21-33(28-17-12-10-13-18-28)37(35)38-36(43)24-23-34(39(38)42(7,8)9)29-19-14-11-15-20-29;1-24-14-11-15-25(20-24)29-16-12-18-31-33(29)34-30(37(8,9)10)17-13-19-32(34)38(31)28-22-26(35(2,3)4)21-27(23-28)36(5,6)7/h16-34H,1-15H3;10-27H,1-9H3;11-23H,1-10H3/i;10D,12D,13D,17D,18D;11D,14D,15D,20D.

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

4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-9-(3,5-ditert-butylphenyl)-5-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole has a molecular weight of 1839.78 g/mol, XLogP of 38.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-9-(3,5-ditert-butylphenyl)-5-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole is sourced from PubChem (CID 159479445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).