3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole

C73H49N5S2 — CID 146281118

About 3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole

3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole (PubChem CID 146281118) has the molecular formula C73H49N5S2 and a molecular weight of 1060.36 g/mol. Its IUPAC name is 3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole.

Molecular Properties

• Compound Name: 3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole
• PubChem CID: 146281118
• Molecular Formula: C73H49N5S2
• Molecular Weight: 1060.36 g/mol
• Exact Mass: 1059.34
• IUPAC Name: 3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1-c1ccccc1
• InChI: InChI=1S/C73H49N5S2/c1-73(2,3)49-32-36-63-59(42-49)60-43-50(77-61-26-14-10-22-51(61)52-23-11-15-27-62(52)77)33-37-64(60)78(63)69-57(44-18-6-4-7-19-44)38-48(39-58(69)45-20-8-5-9-21-45)72-75-70(46-30-34-55-53-24-12-16-28-65(53)79-67(55)40-46)74-71(76-72)47-31-35-56-54-25-13-17-29-66(54)80-68(56)41-47/h4-43H,1-3H3
• InChIKey: YTGFLRLYTJRMAO-UHFFFAOYSA-N
• XLogP: 20.43
• TPSA: 48.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1060.36
LogP ≤ 5	20.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole?

The IUPAC name of 3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole (CID 146281118) is 3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole.

What is the SMILES notation for 3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole?

The canonical SMILES for 3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1-c1ccccc1.

What is the InChIKey of 3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole?

The InChIKey is YTGFLRLYTJRMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49N5S2/c1-73(2,3)49-32-36-63-59(42-49)60-43-50(77-61-26-14-10-22-51(61)52-23-11-15-27-62(52)77)33-37-64(60)78(63)69-57(44-18-6-4-7-19-44)38-48(39-58(69)45-20-8-5-9-21-45)72-75-70(46-30-34-55-53-24-12-16-28-65(53)79-67(55)40-46)74-71(76-72)47-31-35-56-54-25-13-17-29-66(54)80-68(56)41-47/h4-43H,1-3H3.

What are the key properties of 3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole?

3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole has a molecular weight of 1060.36 g/mol, XLogP of 20.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-6-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole is sourced from PubChem (CID 146281118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).