3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole

C171H114N12 — CID 159228720

About 3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole

3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole (PubChem CID 159228720) has the molecular formula C171H114N12 and a molecular weight of 2389.19 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole
• PubChem CID: 159228720
• Molecular Formula: C171H114N12
• Molecular Weight: 2389.19 g/mol
• Exact Mass: 2387.26
• IUPAC Name: 3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole
• SMILES: [2H]c1c(-n2c3ccccc3c3ccccc32)c([2H])c2c3c([2H])c(-n4c5ccccc5c5ccccc54)c([2H])c([2H])c3n(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c(-n2c3ccc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)cc3c3cc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)ccc32)c([2H])c(C([2H])([2H])[2H])c1[2H].[2H]c1c([2H])c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c([2H])c(C([2H])([2H])[2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc2c(c1)c1cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)ccc1n2-c1cccc(C)c1
• InChI: InChI=1S/3C43H29N3.C42H27N3/c3*1-28-11-10-12-29(25-28)44-42-23-21-30(45-38-17-6-2-13-32(38)33-14-3-7-18-39(33)45)26-36(42)37-27-31(22-24-43(37)44)46-40-19-8-4-15-34(40)35-16-5-9-20-41(35)46;1-2-12-28(13-3-1)43-41-24-22-29(44-37-18-8-4-14-31(37)32-15-5-9-19-38(32)44)26-35(41)36-27-30(23-25-42(36)43)45-39-20-10-6-16-33(39)34-17-7-11-21-40(34)45/h3*2-27H,1H3;1-27H/i1D3,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,25D;2D,3D,4D,5D,6D,7D,8D,9D,13D,14D,15D,16D,17D,18D,19D,20D;1D3,10D,11D,12D,25D;22D,23D,24D,25D,26D,27D
• InChIKey: KSPUZAUYIJQLMO-YFOYYROJSA-N
• XLogP: 44.84
• TPSA: 59.16 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2389.19
LogP ≤ 5	44.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole?

The IUPAC name of 3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole (CID 159228720) is 3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole.

What is the SMILES notation for 3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole?

The canonical SMILES for 3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole is [2H]c1c(-n2c3ccccc3c3ccccc32)c([2H])c2c3c([2H])c(-n4c5ccccc5c5ccccc54)c([2H])c([2H])c3n(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c(-n2c3ccc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)cc3c3cc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)ccc32)c([2H])c(C([2H])([2H])[2H])c1[2H].[2H]c1c([2H])c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c([2H])c(C([2H])([2H])[2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc2c(c1)c1cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)ccc1n2-c1cccc(C)c1.

What is the InChIKey of 3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole?

The InChIKey is KSPUZAUYIJQLMO-YFOYYROJSA-N. The full InChI is InChI=1S/3C43H29N3.C42H27N3/c3*1-28-11-10-12-29(25-28)44-42-23-21-30(45-38-17-6-2-13-32(38)33-14-3-7-18-39(33)45)26-36(42)37-27-31(22-24-43(37)44)46-40-19-8-4-15-34(40)35-16-5-9-20-41(35)46;1-2-12-28(13-3-1)43-41-24-22-29(44-37-18-8-4-14-31(37)32-15-5-9-19-38(32)44)26-35(41)36-27-30(23-25-42(36)43)45-39-20-10-6-16-33(39)34-17-7-11-21-40(34)45/h3*2-27H,1H3;1-27H/i1D3,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,25D;2D,3D,4D,5D,6D,7D,8D,9D,13D,14D,15D,16D,17D,18D,19D,20D;1D3,10D,11D,12D,25D;22D,23D,24D,25D,26D,27D.

What are the key properties of 3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole?

3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 2389.19 g/mol, XLogP of 44.84, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-di(carbazol-9-yl)-1,2,4,5,7,8-hexadeuterio-9-phenylcarbazole;3,6-di(carbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[9-(3-methylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-9-[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 159228720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).