9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole

C124H124N4 — CID 163457521

About 9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole

9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole (PubChem CID 163457521) has the molecular formula C124H124N4 and a molecular weight of 1675.41 g/mol. Its IUPAC name is 9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole
• PubChem CID: 163457521
• Molecular Formula: C124H124N4
• Molecular Weight: 1675.41 g/mol
• Exact Mass: 1674.01
• IUPAC Name: 9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole
• SMILES: CC(C)(C)c1c(-c2ccccc2)cccc1-n1c2ccccc2c2cccc(-c3ccccc3)c21.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cccc(C(C)(C)C)c3C(C)(C)C)c2c1.CC(C)(C)c1ccccc1-n1c2ccccc2c2cccc(-c3ccccc3)c21.[2H]c1c([2H])c([2H])c(-c2cccc3c4ccccc4n(-c4ccccc4C(C)(C)C)c23)c([2H])c1[2H]
• InChI: InChI=1S/C34H29N.C34H45N.2C28H25N/c1-34(2,3)32-26(24-14-6-4-7-15-24)19-13-23-31(32)35-30-22-11-10-18-28(30)29-21-12-20-27(33(29)35)25-16-8-5-9-17-25;1-31(2,3)22-16-18-24-25-19-17-23(32(4,5)6)21-29(25)35(28(24)20-22)27-15-13-14-26(33(7,8)9)30(27)34(10,11)12;2*1-28(2,3)24-17-8-10-19-26(24)29-25-18-9-7-14-22(25)23-16-11-15-21(27(23)29)20-12-5-4-6-13-20/h4-23H,1-3H3;13-21H,1-12H3;2*4-19H,1-3H3/i;;4D,5D,6D,12D,13D
• InChIKey: BLSUQEQIVGYLEW-DOOYCGGMSA-N
• XLogP: 34.89
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1675.41
LogP ≤ 5	34.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole?

The IUPAC name of 9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole (CID 163457521) is 9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole.

What is the SMILES notation for 9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole?

The canonical SMILES for 9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole is CC(C)(C)c1c(-c2ccccc2)cccc1-n1c2ccccc2c2cccc(-c3ccccc3)c21.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cccc(C(C)(C)C)c3C(C)(C)C)c2c1.CC(C)(C)c1ccccc1-n1c2ccccc2c2cccc(-c3ccccc3)c21.[2H]c1c([2H])c([2H])c(-c2cccc3c4ccccc4n(-c4ccccc4C(C)(C)C)c23)c([2H])c1[2H].

What is the InChIKey of 9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole?

The InChIKey is BLSUQEQIVGYLEW-DOOYCGGMSA-N. The full InChI is InChI=1S/C34H29N.C34H45N.2C28H25N/c1-34(2,3)32-26(24-14-6-4-7-15-24)19-13-23-31(32)35-30-22-11-10-18-28(30)29-21-12-20-27(33(29)35)25-16-8-5-9-17-25;1-31(2,3)22-16-18-24-25-19-17-23(32(4,5)6)21-29(25)35(28(24)20-22)27-15-13-14-26(33(7,8)9)30(27)34(10,11)12;2*1-28(2,3)24-17-8-10-19-26(24)29-25-18-9-7-14-22(25)23-16-11-15-21(27(23)29)20-12-5-4-6-13-20/h4-23H,1-3H3;13-21H,1-12H3;2*4-19H,1-3H3/i;;4D,5D,6D,12D,13D;.

What are the key properties of 9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole?

9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole has a molecular weight of 1675.41 g/mol, XLogP of 34.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole is sourced from PubChem (CID 163457521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).