1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole

C40H43N3 — CID 140902425

About 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole

1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole (PubChem CID 140902425) has the molecular formula C40H43N3 and a molecular weight of 565.81 g/mol. Its IUPAC name is 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole.

Molecular Properties

• Compound Name: 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole
• PubChem CID: 140902425
• Molecular Formula: C40H43N3
• Molecular Weight: 565.81 g/mol
• Exact Mass: 565.35
• IUPAC Name: 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole
• SMILES: CC(C)(C)c1cccc(-c2cc(C(C)(C)C)cc(-c3cccc4c3[nH]c3c(-c5cc(C(C)(C)C)ccn5)cccc34)n2)c1
• InChI: InChI=1S/C40H43N3/c1-38(2,3)26-14-10-13-25(21-26)33-23-28(40(7,8)9)24-35(42-33)32-18-12-16-30-29-15-11-17-31(36(29)43-37(30)32)34-22-27(19-20-41-34)39(4,5)6/h10-24,43H,1-9H3
• InChIKey: MGQWKVJGCNCROZ-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.81
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole?

The IUPAC name of 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole (CID 140902425) is 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole.

What is the SMILES notation for 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole?

The canonical SMILES for 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole is CC(C)(C)c1cccc(-c2cc(C(C)(C)C)cc(-c3cccc4c3[nH]c3c(-c5cc(C(C)(C)C)ccn5)cccc34)n2)c1.

What is the InChIKey of 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole?

The InChIKey is MGQWKVJGCNCROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43N3/c1-38(2,3)26-14-10-13-25(21-26)33-23-28(40(7,8)9)24-35(42-33)32-18-12-16-30-29-15-11-17-31(36(29)43-37(30)32)34-22-27(19-20-41-34)39(4,5)6/h10-24,43H,1-9H3.

What are the key properties of 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole?

1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole has a molecular weight of 565.81 g/mol, XLogP of 11.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole is sourced from PubChem (CID 140902425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).