3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole

C93H84N6 — CID 58556543

About 3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole

3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 58556543) has the molecular formula C93H84N6 and a molecular weight of 1285.74 g/mol. Its IUPAC name is 3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 58556543
• Molecular Formula: C93H84N6
• Molecular Weight: 1285.74 g/mol
• Exact Mass: 1284.68
• IUPAC Name: 3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole
• SMILES: Cc1cccc(-c2nc(-c3cccc(C)c3)nc(-n3c4ccc(-n5c6ccc(-c7ccc(C(C)(C)C)cc7)cc6c6cc(-c7ccc(C(C)(C)C)cc7)ccc65)cc4c4cc(-n5c6ccc(-c7ccc(C(C)(C)C)cc7)cc6c6cc(-c7ccc(C(C)(C)C)cc7)ccc65)ccc43)n2)c1
• InChI: InChI=1S/C93H84N6/c1-57-17-15-19-67(49-57)87-94-88(68-20-16-18-58(2)50-68)96-89(95-87)99-85-47-41-73(97-81-43-29-63(59-21-33-69(34-22-59)90(3,4)5)51-75(81)76-52-64(30-44-82(76)97)60-23-35-70(36-24-60)91(6,7)8)55-79(85)80-56-74(42-48-86(80)99)98-83-45-31-65(61-25-37-71(38-26-61)92(9,10)11)53-77(83)78-54-66(32-46-84(78)98)62-27-39-72(40-28-62)93(12,13)14/h15-56H,1-14H3
• InChIKey: FQXLMKUUYFELNM-UHFFFAOYSA-N
• XLogP: 24.97
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1285.74
LogP ≤ 5	24.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 58556543) is 3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole is Cc1cccc(-c2nc(-c3cccc(C)c3)nc(-n3c4ccc(-n5c6ccc(-c7ccc(C(C)(C)C)cc7)cc6c6cc(-c7ccc(C(C)(C)C)cc7)ccc65)cc4c4cc(-n5c6ccc(-c7ccc(C(C)(C)C)cc7)cc6c6cc(-c7ccc(C(C)(C)C)cc7)ccc65)ccc43)n2)c1.

What is the InChIKey of 3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole?

The InChIKey is FQXLMKUUYFELNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H84N6/c1-57-17-15-19-67(49-57)87-94-88(68-20-16-18-58(2)50-68)96-89(95-87)99-85-47-41-73(97-81-43-29-63(59-21-33-69(34-22-59)90(3,4)5)51-75(81)76-52-64(30-44-82(76)97)60-23-35-70(36-24-60)91(6,7)8)55-79(85)80-56-74(42-48-86(80)99)98-83-45-31-65(61-25-37-71(38-26-61)92(9,10)11)53-77(83)78-54-66(32-46-84(78)98)62-27-39-72(40-28-62)93(12,13)14/h15-56H,1-14H3.

What are the key properties of 3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole?

3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1285.74 g/mol, XLogP of 24.97, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 58556543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).