[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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane

C70H45GeN5O — CID 176635545

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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane

[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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane (PubChem CID 176635545) has the molecular formula C70H45GeN5O and a molecular weight of 1064.90 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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane.

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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane
• PubChem CID: 176635545
• Molecular Formula: C70H45GeN5O
• Molecular Weight: 1064.90 g/mol
• Exact Mass: 1065.41
• 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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane
• 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)c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)c1[2H]
• InChI: InChI=1S/C70H45GeN5O/c1-3-23-47(24-4-1)71(48-25-5-2-6-26-48,50-42-43-60-66(45-50)77-65-41-20-15-36-59(65)70(60)57-34-13-7-28-51(57)52-29-8-14-35-58(52)70)49-27-21-22-46(44-49)67-72-68(75-61-37-16-9-30-53(61)54-31-10-17-38-62(54)75)74-69(73-67)76-63-39-18-11-32-55(63)56-33-12-19-40-64(56)76/h1-45H/i9D,10D,11D,12D,16D,17D,18D,19D,21D,22D,27D,30D,31D,32D,33D,37D,38D,39D,40D,44D
• InChIKey: RCKYOYWWGRBRNH-YWMWHTGPSA-N
• XLogP: 13.58
• TPSA: 57.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1064.90
LogP ≤ 5	13.58
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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane?

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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane (CID 176635545) 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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane.

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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane?

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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane 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)c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane?

The InChIKey is RCKYOYWWGRBRNH-YWMWHTGPSA-N. The full InChI is InChI=1S/C70H45GeN5O/c1-3-23-47(24-4-1)71(48-25-5-2-6-26-48,50-42-43-60-66(45-50)77-65-41-20-15-36-59(65)70(60)57-34-13-7-28-51(57)52-29-8-14-35-58(52)70)49-27-21-22-46(44-49)67-72-68(75-61-37-16-9-30-53(61)54-31-10-17-38-62(54)75)74-69(73-67)76-63-39-18-11-32-55(63)56-33-12-19-40-64(56)76/h1-45H/i9D,10D,11D,12D,16D,17D,18D,19D,21D,22D,27D,30D,31D,32D,33D,37D,38D,39D,40D,44D.

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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane?

[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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane has a molecular weight of 1064.90 g/mol, XLogP of 13.58, 7 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-spiro[fluorene-9,9'-xanthene]-3'-ylgermane is sourced from PubChem (CID 176635545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).