9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole

C96H70N10S2 — CID 159537998

About 9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole

9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole (PubChem CID 159537998) has the molecular formula C96H70N10S2 and a molecular weight of 1427.82 g/mol. Its IUPAC name is 9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole
• PubChem CID: 159537998
• Molecular Formula: C96H70N10S2
• Molecular Weight: 1427.82 g/mol
• Exact Mass: 1426.52
• IUPAC Name: 9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole
• SMILES: CC(C)(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)sc6ccccc67)cc54)n3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)sc6ccccc67)cc54)c3)n2)cc1
• InChI: InChI=1S/2C48H35N5S/c1-48(2,3)34-24-20-31(21-25-34)46-50-45(30-12-5-4-6-13-30)51-47(52-46)39-16-11-19-44(49-39)53-40-17-9-7-14-35(40)36-26-22-32(28-41(36)53)33-23-27-38-37-15-8-10-18-42(37)54-43(38)29-33;1-48(2,3)35-21-17-31(18-22-35)46-50-45(30-11-5-4-6-12-30)51-47(52-46)34-25-26-49-44(29-34)53-40-15-9-7-13-36(40)37-23-19-32(27-41(37)53)33-20-24-39-38-14-8-10-16-42(38)54-43(39)28-33/h2*4-29H,1-3H3
• InChIKey: MDVLVIQPSFGTNB-UHFFFAOYSA-N
• XLogP: 25.39
• TPSA: 112.98 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.82
LogP ≤ 5	25.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole?

The IUPAC name of 9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole (CID 159537998) is 9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole.

What is the SMILES notation for 9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole?

The canonical SMILES for 9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole is CC(C)(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)sc6ccccc67)cc54)n3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)sc6ccccc67)cc54)c3)n2)cc1.

What is the InChIKey of 9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole?

The InChIKey is MDVLVIQPSFGTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H35N5S/c1-48(2,3)34-24-20-31(21-25-34)46-50-45(30-12-5-4-6-13-30)51-47(52-46)39-16-11-19-44(49-39)53-40-17-9-7-14-35(40)36-26-22-32(28-41(36)53)33-23-27-38-37-15-8-10-18-42(37)54-43(38)29-33;1-48(2,3)35-21-17-31(18-22-35)46-50-45(30-11-5-4-6-12-30)51-47(52-46)34-25-26-49-44(29-34)53-40-15-9-7-13-36(40)37-23-19-32(27-41(37)53)33-20-24-39-38-14-8-10-16-42(38)54-43(39)28-33/h2*4-29H,1-3H3.

What are the key properties of 9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole?

9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole has a molecular weight of 1427.82 g/mol, XLogP of 25.39, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole is sourced from PubChem (CID 159537998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).