1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole

C57H35N5S — CID 177267751

About 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 177267751) has the molecular formula C57H35N5S and a molecular weight of 846.16 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 177267751
• Molecular Formula: C57H35N5S
• Molecular Weight: 846.16 g/mol
• Exact Mass: 845.41
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c4c([2H])c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c4n(-c4nc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)nc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)n4)c3c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C57H35N5S/c1-3-14-36(15-4-1)40-26-29-45-46-30-27-41(37-16-5-2-6-17-37)35-52(46)62(51(45)34-40)57-59-55(58-56(60-57)61-49-23-10-7-20-43(49)44-21-8-11-24-50(44)61)42-19-13-18-38(32-42)39-28-31-54-48(33-39)47-22-9-12-25-53(47)63-54/h1-35H/i1D,2D,3D,4D,5D,6D,7D,8D,10D,11D,14D,15D,16D,17D,20D,21D,23D,24D,26D,27D,29D,30D,34D,35D
• InChIKey: VJSOQHZQGQTVBG-QSOFZICSSA-N
• XLogP: 15.10
• TPSA: 48.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.16
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole (CID 177267751) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c4c([2H])c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c4n(-c4nc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)nc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)n4)c3c2[2H])c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole?

The InChIKey is VJSOQHZQGQTVBG-QSOFZICSSA-N. The full InChI is InChI=1S/C57H35N5S/c1-3-14-36(15-4-1)40-26-29-45-46-30-27-41(37-16-5-2-6-17-37)35-52(46)62(51(45)34-40)57-59-55(58-56(60-57)61-49-23-10-7-20-43(49)44-21-8-11-24-50(44)61)42-19-13-18-38(32-42)39-28-31-54-48(33-39)47-22-9-12-25-53(47)63-54/h1-35H/i1D,2D,3D,4D,5D,6D,7D,8D,10D,11D,14D,15D,16D,17D,20D,21D,23D,24D,26D,27D,29D,30D,34D,35D.

What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole?

1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 846.16 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 177267751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).