2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole

C120H76N10S2 — CID 159841599

About 2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole

2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole (PubChem CID 159841599) has the molecular formula C120H76N10S2 and a molecular weight of 1722.13 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole
• PubChem CID: 159841599
• Molecular Formula: C120H76N10S2
• Molecular Weight: 1722.13 g/mol
• Exact Mass: 1720.57
• IUPAC Name: 2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole
• SMILES: C1=CC2c3cc(-c4ccccc4)ccc3N(c3ccc4c(c3)c3cc(-c5cccc6c5sc5ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc56)ccc3n4-c3ccccc3)C2C=C1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccc7c(c6)c6ccc(-n8c9ccccc9c9ccccc98)cc6n7-c6ccccc6)cc5c34)n2)cc1
• InChI: InChI=1S/C63H41N5S.C57H35N5S/c1-5-16-40(17-6-1)43-28-32-56-51(36-43)49-24-13-14-27-55(49)68(56)47-31-34-58-53(39-47)52-37-44(29-33-57(52)67(58)46-22-11-4-12-23-46)48-25-15-26-50-54-38-45(30-35-59(54)69-60(48)50)63-65-61(41-18-7-2-8-19-41)64-62(66-63)42-20-9-3-10-21-42;1-4-15-36(16-5-1)55-58-56(37-17-6-2-7-18-37)60-57(59-55)45-23-14-26-53-54(45)47-34-39(28-32-52(47)63-53)38-27-31-50-46(33-38)44-30-29-41(35-51(44)61(50)40-19-8-3-9-20-40)62-48-24-12-10-21-42(48)43-22-11-13-25-49(43)62/h1-39,49,55H;1-35H
• InChIKey: NOTAXUCESLVJFV-UHFFFAOYSA-N
• XLogP: 31.50
• TPSA: 95.37 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1722.13
LogP ≤ 5	31.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole?

The IUPAC name of 2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole (CID 159841599) is 2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole.

What is the SMILES notation for 2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole?

The canonical SMILES for 2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole is C1=CC2c3cc(-c4ccccc4)ccc3N(c3ccc4c(c3)c3cc(-c5cccc6c5sc5ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc56)ccc3n4-c3ccccc3)C2C=C1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccc7c(c6)c6ccc(-n8c9ccccc9c9ccccc98)cc6n7-c6ccccc6)cc5c34)n2)cc1.

What is the InChIKey of 2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole?

The InChIKey is NOTAXUCESLVJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5S.C57H35N5S/c1-5-16-40(17-6-1)43-28-32-56-51(36-43)49-24-13-14-27-55(49)68(56)47-31-34-58-53(39-47)52-37-44(29-33-57(52)67(58)46-22-11-4-12-23-46)48-25-15-26-50-54-38-45(30-35-59(54)69-60(48)50)63-65-61(41-18-7-2-8-19-41)64-62(66-63)42-20-9-3-10-21-42;1-4-15-36(16-5-1)55-58-56(37-17-6-2-7-18-37)60-57(59-55)45-23-14-26-53-54(45)47-34-39(28-32-52(47)63-53)38-27-31-50-46(33-38)44-30-29-41(35-51(44)61(50)40-19-8-3-9-20-40)62-48-24-12-10-21-42(48)43-22-11-13-25-49(43)62/h1-39,49,55H;1-35H.

What are the key properties of 2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole?

2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole has a molecular weight of 1722.13 g/mol, XLogP of 31.50, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole is sourced from PubChem (CID 159841599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).