(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane

C48H34N2Si — CID 164756562

IUPAC(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-n4c5ccccc5c5c([Si](c6ccccc6)(c6ccccc6)c6c([2H])c([2H])c([2H])c([2H])c6[2H])cccc54)ccc32)c([2H])c1[2H]
InChIInChI=1S/C48H34N2Si/c1-5-18-35(19-6-1)49-43-28-15-13-26-40(43)42-34-36(32-33-45(42)49)50-44-29-16-14-27-41(44)48-46(50)30-17-31-47(48)51(37-20-7-2-8-21-37,38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-34H/i1D,2D,5D,6D,7D,8D,18D,19D,20D,21D
InChIKeyNXJWSHCHSWXUGM-AIAFDTSTSA-N
MW676.96 g/mol
LogP9.26
Rot. Bonds6

About (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane

(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane (PubChem CID 164756562) has the molecular formula C48H34N2Si and a molecular weight of 676.96 g/mol. Its IUPAC name is (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane.

Molecular Properties

Compound Name(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane
PubChem CID164756562
Molecular FormulaC48H34N2Si
Molecular Weight676.96 g/mol
Exact Mass676.31
IUPAC Name(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-n4c5ccccc5c5c([Si](c6ccccc6)(c6ccccc6)c6c([2H])c([2H])c([2H])c([2H])c6[2H])cccc54)ccc32)c([2H])c1[2H]
InChIInChI=1S/C48H34N2Si/c1-5-18-35(19-6-1)49-43-28-15-13-26-40(43)42-34-36(32-33-45(42)49)50-44-29-16-14-27-41(44)48-46(50)30-17-31-47(48)51(37-20-7-2-8-21-37,38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-34H/i1D,2D,5D,6D,7D,8D,18D,19D,20D,21D
InChIKeyNXJWSHCHSWXUGM-AIAFDTSTSA-N
XLogP9.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.96
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-triphenylsilane
CID 164756610
[9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
CID 164756707
(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane
CID 164756684
[4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane
CID 171457908
[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane
CID 171458247
(3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane
CID 171458575
[9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
CID 164756561
(3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane
CID 171458462
diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane
CID 171458393
9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole
CID 171458755
[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
CID 164756587
(3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
CID 171458361

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane?
The IUPAC name of (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane (CID 164756562) is (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane.
What is the SMILES notation for (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane?
The canonical SMILES for (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-n4c5ccccc5c5c([Si](c6ccccc6)(c6ccccc6)c6c([2H])c([2H])c([2H])c([2H])c6[2H])cccc54)ccc32)c([2H])c1[2H].
What is the InChIKey of (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane?
The InChIKey is NXJWSHCHSWXUGM-AIAFDTSTSA-N. The full InChI is InChI=1S/C48H34N2Si/c1-5-18-35(19-6-1)49-43-28-15-13-26-40(43)42-34-36(32-33-45(42)49)50-44-29-16-14-27-41(44)48-46(50)30-17-31-47(48)51(37-20-7-2-8-21-37,38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-34H/i1D,2D,5D,6D,7D,8D,18D,19D,20D,21D.
What are the key properties of (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane?
(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane has a molecular weight of 676.96 g/mol, XLogP of 9.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane is sourced from PubChem (CID 164756562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).