1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole

C36H24N2 — CID 170517488

IUPAC1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c([2H])c([2H])c([2H])c([2H])c65)ccc43)c2)c([2H])c1[2H]
InChIInChI=1S/C36H24N2/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-35-20-9-6-17-31(35)32-24-28(21-22-36(32)37)38-33-18-7-4-15-29(33)30-16-5-8-19-34(30)38/h1-24H/i1D,2D,3D,4D,7D,11D,12D,15D,18D
InChIKeyPPQRPUFUVGSKPQ-HSECHRCMSA-N
MW493.66 g/mol
LogP9.55
Rot. Bonds3

About 1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole

1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole (PubChem CID 170517488) has the molecular formula C36H24N2 and a molecular weight of 493.66 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
PubChem CID170517488
Molecular FormulaC36H24N2
Molecular Weight493.66 g/mol
Exact Mass493.25
IUPAC Name1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c([2H])c([2H])c([2H])c([2H])c65)ccc43)c2)c([2H])c1[2H]
InChIInChI=1S/C36H24N2/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-35-20-9-6-17-31(35)32-24-28(21-22-36(32)37)38-33-18-7-4-15-29(33)30-16-5-8-19-34(30)38/h1-24H/i1D,2D,3D,4D,7D,11D,12D,15D,18D
InChIKeyPPQRPUFUVGSKPQ-HSECHRCMSA-N
XLogP9.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.66
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetradeuterio-9-[9-[3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 170517744
1,2,3,4-tetradeuterio-9-[9-[3-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517583
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517489
1,2,3,4-tetradeuterio-9-[9-[3-[2,4,6-trideuterio-3-(2,3,5,6-tetradeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 170517655
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-(2,6-dideuteriophenyl)phenyl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 170517742
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazole
CID 171458260
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517729
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[3-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
CID 170517671
1,2,3,4-tetradeuterio-9-[9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517700
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517762
[4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane
CID 162500251
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 170518251

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole (CID 170517488) is 1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c([2H])c([2H])c([2H])c([2H])c65)ccc43)c2)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is PPQRPUFUVGSKPQ-HSECHRCMSA-N. The full InChI is InChI=1S/C36H24N2/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-35-20-9-6-17-31(35)32-24-28(21-22-36(32)37)38-33-18-7-4-15-29(33)30-16-5-8-19-34(30)38/h1-24H/i1D,2D,3D,4D,7D,11D,12D,15D,18D.
What are the key properties of 1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole?
1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 493.66 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 170517488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).