4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole

C157H205N3 — CID 158942871

About 4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole

4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole (PubChem CID 158942871) has the molecular formula C157H205N3 and a molecular weight of 2138.41 g/mol. Its IUPAC name is 4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole.

Molecular Properties

• Compound Name: 4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
• PubChem CID: 158942871
• Molecular Formula: C157H205N3
• Molecular Weight: 2138.41 g/mol
• Exact Mass: 2136.64
• IUPAC Name: 4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
• SMILES: CC(C)(C)c1cc(-c2ccc3c(c2C(C)(C)C)c2c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)c(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)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-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1[2H]
• InChI: InChI=1S/C58H77N.C51H63N.C48H65N/c1-52(2,3)38-27-36(28-39(31-38)53(4,5)6)45-23-22-24-47-49(45)50-48(59(47)44-34-42(56(13,14)15)33-43(35-44)57(16,17)18)26-25-46(51(50)58(19,20)21)37-29-40(54(7,8)9)32-41(30-37)55(10,11)12;1-32-19-17-20-33(25-32)41-23-24-43-45(46(41)51(14,15)16)44-40(34-26-35(47(2,3)4)28-36(27-34)48(5,6)7)21-18-22-42(44)52(43)39-30-37(49(8,9)10)29-38(31-39)50(11,12)13;1-43(2,3)31-24-30(25-32(26-31)44(4,5)6)36-20-19-21-38-40(36)41-39(23-22-37(47(13,14)15)42(41)48(16,17)18)49(38)35-28-33(45(7,8)9)27-34(29-35)46(10,11)12/h22-35H,1-21H3;17-31H,1-16H3;19-29H,1-18H3/i;17D,19D,20D,25D
• InChIKey: JKLVVLMUZVYGCX-OJDKMGNWSA-N
• XLogP: 46.35
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2138.41
LogP ≤ 5	46.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole (CID 158942871) is 4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole.

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

The canonical SMILES for 4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole is CC(C)(C)c1cc(-c2ccc3c(c2C(C)(C)C)c2c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)c(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)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-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1[2H].

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

The InChIKey is JKLVVLMUZVYGCX-OJDKMGNWSA-N. The full InChI is InChI=1S/C58H77N.C51H63N.C48H65N/c1-52(2,3)38-27-36(28-39(31-38)53(4,5)6)45-23-22-24-47-49(45)50-48(59(47)44-34-42(56(13,14)15)33-43(35-44)57(16,17)18)26-25-46(51(50)58(19,20)21)37-29-40(54(7,8)9)32-41(30-37)55(10,11)12;1-32-19-17-20-33(25-32)41-23-24-43-45(46(41)51(14,15)16)44-40(34-26-35(47(2,3)4)28-36(27-34)48(5,6)7)21-18-22-42(44)52(43)39-30-37(49(8,9)10)29-38(31-39)50(11,12)13;1-43(2,3)31-24-30(25-32(26-31)44(4,5)6)36-20-19-21-38-40(36)41-39(23-22-37(47(13,14)15)42(41)48(16,17)18)49(38)35-28-33(45(7,8)9)27-34(29-35)46(10,11)12/h22-35H,1-21H3;17-31H,1-16H3;19-29H,1-18H3/i;17D,19D,20D,25D;.

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

4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole has a molecular weight of 2138.41 g/mol, XLogP of 46.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole is sourced from PubChem (CID 158942871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).