5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole

C51H31N5S — CID 176637281

About 5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole

5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 176637281) has the molecular formula C51H31N5S and a molecular weight of 762.01 g/mol. Its IUPAC name is 5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
• PubChem CID: 176637281
• Molecular Formula: C51H31N5S
• Molecular Weight: 762.01 g/mol
• Exact Mass: 761.33
• IUPAC Name: 5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c([2H])c5c4sc4c([2H])c([2H])c([2H])c([2H])c45)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C51H31N5S/c1-3-15-32(16-4-1)33-17-13-18-34(31-33)49-52-50(41-25-14-24-39-37-22-9-12-28-45(37)57-48(39)41)54-51(53-49)56-43-27-11-8-23-40(43)46-44(56)30-29-38-36-21-7-10-26-42(36)55(47(38)46)35-19-5-2-6-20-35/h1-31H/i1D,3D,4D,9D,12D,13D,14D,15D,16D,17D,18D,22D,24D,25D,28D,31D
• InChIKey: FZTGHJFPZJEGFZ-OKTDCIKMSA-N
• XLogP: 13.43
• TPSA: 48.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.01
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole?

The IUPAC name of 5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole (CID 176637281) is 5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole.

What is the SMILES notation for 5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole?

The canonical SMILES for 5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c([2H])c5c4sc4c([2H])c([2H])c([2H])c([2H])c45)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)c2[2H])c([2H])c1[2H].

What is the InChIKey of 5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole?

The InChIKey is FZTGHJFPZJEGFZ-OKTDCIKMSA-N. The full InChI is InChI=1S/C51H31N5S/c1-3-15-32(16-4-1)33-17-13-18-34(31-33)49-52-50(41-25-14-24-39-37-22-9-12-28-45(37)57-48(39)41)54-51(53-49)56-43-27-11-8-23-40(43)46-44(56)30-29-38-36-21-7-10-26-42(36)55(47(38)46)35-19-5-2-6-20-35/h1-31H/i1D,3D,4D,9D,12D,13D,14D,15D,16D,17D,18D,22D,24D,25D,28D,31D.

What are the key properties of 5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole?

5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 762.01 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 176637281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).