9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine

C156H137N9OS — CID 160725361

About 9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine

9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine (PubChem CID 160725361) has the molecular formula C156H137N9OS and a molecular weight of 2185.94 g/mol. Its IUPAC name is 9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: 9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine
• PubChem CID: 160725361
• Molecular Formula: C156H137N9OS
• Molecular Weight: 2185.94 g/mol
• Exact Mass: 2184.07
• IUPAC Name: 9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine
• SMILES: CC(C)(C)n1c2ccccc2c2cc(-c3cccc4c3oc3ccccc34)ccc21.CC(C)(C)n1c2ccccc2c2cc(-c3cccc4c3sc3ccccc34)ccc21.CC(C)(C)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.CC(C)(C)n1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.CC(C)(C)n1c2ccccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21.CC(C)(C)n1c2ccccc2c2ccccc21
• InChI: InChI=1S/2C28H24N2.C28H26N2.C28H23NO.C28H23NS.C16H17N/c1-28(2,3)30-26-15-9-6-12-22(26)23-18-19(16-17-27(23)30)29-24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-28(2,3)30-26-15-9-6-12-22(26)23-17-16-19(18-27(23)30)29-24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-28(2,3)30-26-17-11-10-16-24(26)25-20-23(18-19-27(25)30)29(21-12-6-4-7-13-21)22-14-8-5-9-15-22;2*1-28(2,3)29-24-13-6-4-9-20(24)23-17-18(15-16-25(23)29)19-11-8-12-22-21-10-5-7-14-26(21)30-27(19)22;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h2*4-18H,1-3H3;4-20H,1-3H3;2*4-17H,1-3H3;4-11H,1-3H3
• InChIKey: RTQFMOUEOYDFML-UHFFFAOYSA-N
• XLogP: 44.56
• TPSA: 55.82 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2185.94
LogP ≤ 5	44.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine?

The IUPAC name of 9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine (CID 160725361) is 9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine.

What is the SMILES notation for 9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine?

The canonical SMILES for 9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine is CC(C)(C)n1c2ccccc2c2cc(-c3cccc4c3oc3ccccc34)ccc21.CC(C)(C)n1c2ccccc2c2cc(-c3cccc4c3sc3ccccc34)ccc21.CC(C)(C)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.CC(C)(C)n1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.CC(C)(C)n1c2ccccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21.CC(C)(C)n1c2ccccc2c2ccccc21.

What is the InChIKey of 9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine?

The InChIKey is RTQFMOUEOYDFML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H24N2.C28H26N2.C28H23NO.C28H23NS.C16H17N/c1-28(2,3)30-26-15-9-6-12-22(26)23-18-19(16-17-27(23)30)29-24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-28(2,3)30-26-15-9-6-12-22(26)23-17-16-19(18-27(23)30)29-24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-28(2,3)30-26-17-11-10-16-24(26)25-20-23(18-19-27(25)30)29(21-12-6-4-7-13-21)22-14-8-5-9-15-22;2*1-28(2,3)29-24-13-6-4-9-20(24)23-17-18(15-16-25(23)29)19-11-8-12-22-21-10-5-7-14-26(21)30-27(19)22;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h2*4-18H,1-3H3;4-20H,1-3H3;2*4-17H,1-3H3;4-11H,1-3H3.

What are the key properties of 9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine?

9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine has a molecular weight of 2185.94 g/mol, XLogP of 44.56, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 160725361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).