[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane

C76H49GeN5O — CID 176635602

About [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane

[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane (PubChem CID 176635602) has the molecular formula C76H49GeN5O and a molecular weight of 1145.02 g/mol. Its IUPAC name is [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane.

Molecular Properties

• Compound Name: [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane
• PubChem CID: 176635602
• Molecular Formula: C76H49GeN5O
• Molecular Weight: 1145.02 g/mol
• Exact Mass: 1145.47
• IUPAC Name: [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane
• SMILES: [2H]c1c([2H])c(-c2nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c([2H])c([Ge](c2ccccc2)(c2ccccc2)c2c([2H])c([2H])c([2H])c(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c2[2H])c1[2H]
• InChI: InChI=1S/C76H49GeN5O/c1-3-26-52(27-4-1)77(53-28-5-2-6-29-53,54-30-21-24-50(48-54)56-38-23-42-66-72(56)83-71-47-20-15-41-65(71)76(66)63-39-13-7-32-57(63)58-33-8-14-40-64(58)76)55-31-22-25-51(49-55)73-78-74(81-67-43-16-9-34-59(67)60-35-10-17-44-68(60)81)80-75(79-73)82-69-45-18-11-36-61(69)62-37-12-19-46-70(62)82/h1-49H/i9D,10D,11D,12D,16D,17D,18D,19D,21D,22D,24D,25D,30D,31D,34D,35D,36D,37D,43D,44D,45D,46D,48D,49D
• InChIKey: YUVVXYPJMVAMKB-VOMJVUESSA-N
• XLogP: 15.25
• TPSA: 57.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.02
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane?

The IUPAC name of [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane (CID 176635602) is [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane.

What is the SMILES notation for [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane?

The canonical SMILES for [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane is [2H]c1c([2H])c(-c2nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c([2H])c([Ge](c2ccccc2)(c2ccccc2)c2c([2H])c([2H])c([2H])c(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c2[2H])c1[2H].

What is the InChIKey of [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane?

The InChIKey is YUVVXYPJMVAMKB-VOMJVUESSA-N. The full InChI is InChI=1S/C76H49GeN5O/c1-3-26-52(27-4-1)77(53-28-5-2-6-29-53,54-30-21-24-50(48-54)56-38-23-42-66-72(56)83-71-47-20-15-41-65(71)76(66)63-39-13-7-32-57(63)58-33-8-14-40-64(58)76)55-31-22-25-51(49-55)73-78-74(81-67-43-16-9-34-59(67)60-35-10-17-44-68(60)81)80-75(79-73)82-69-45-18-11-36-61(69)62-37-12-19-46-70(62)82/h1-49H/i9D,10D,11D,12D,16D,17D,18D,19D,21D,22D,24D,25D,30D,31D,34D,35D,36D,37D,43D,44D,45D,46D,48D,49D.

What are the key properties of [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane?

[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane has a molecular weight of 1145.02 g/mol, XLogP of 15.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-diphenyl-(2,3,4,6-tetradeuterio-5-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)germane is sourced from PubChem (CID 176635602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).