3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

C104H68N8 — CID 158327802

IUPAC3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c([2H])c([2H])c1n2-c1ccccc1
InChIInChI=1S/2C52H34N4/c2*1-4-14-35(15-5-1)46-34-47(54-52(53-46)37-16-6-2-7-17-37)36-24-28-41(29-25-36)56-49-23-13-11-21-43(49)45-33-39(27-31-51(45)56)38-26-30-50-44(32-38)42-20-10-12-22-48(42)55(50)40-18-8-3-9-19-40/h2*1-34H/i10D,12D,20D,22D,26D,30D,32D;3D,8D,9D,18D,19D
InChIKeyGPPXRYLGLWEXBO-BRRQJJOWSA-N
MW1441.82 g/mol
LogP26.68
Rot. Bonds12

About 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 158327802) has the molecular formula C104H68N8 and a molecular weight of 1441.82 g/mol. Its IUPAC name is 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID158327802
Molecular FormulaC104H68N8
Molecular Weight1441.82 g/mol
Exact Mass1440.63
IUPAC Name3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c([2H])c([2H])c1n2-c1ccccc1
InChIInChI=1S/2C52H34N4/c2*1-4-14-35(15-5-1)46-34-47(54-52(53-46)37-16-6-2-7-17-37)36-24-28-41(29-25-36)56-49-23-13-11-21-43(49)45-33-39(27-31-51(45)56)38-26-30-50-44(32-38)42-20-10-12-22-48(42)55(50)40-18-8-3-9-19-40/h2*1-34H/i10D,12D,20D,22D,26D,30D,32D;3D,8D,9D,18D,19D
InChIKeyGPPXRYLGLWEXBO-BRRQJJOWSA-N
XLogP26.68
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001441.82
LogP ≤ 526.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole with MolForge

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Related Compounds

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167377908
1,2,3,4,5,7,8-heptadeuterio-9-(4-deuteriophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 172512017
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 166047028
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172519891
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
1,2,3,4,5,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 172519979
1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113467
1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171420324
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 171420285
2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 167562102

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 158327802) is 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c([2H])c([2H])c1n2-c1ccccc1.
What is the InChIKey of 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is GPPXRYLGLWEXBO-BRRQJJOWSA-N. The full InChI is InChI=1S/2C52H34N4/c2*1-4-14-35(15-5-1)46-34-47(54-52(53-46)37-16-6-2-7-17-37)36-24-28-41(29-25-36)56-49-23-13-11-21-43(49)45-33-39(27-31-51(45)56)38-26-30-50-44(32-38)42-20-10-12-22-48(42)55(50)40-18-8-3-9-19-40/h2*1-34H/i10D,12D,20D,22D,26D,30D,32D;3D,8D,9D,18D,19D.
What are the key properties of 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1441.82 g/mol, XLogP of 26.68, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 158327802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).