[3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane

C66H44N2SSi — CID 177122568

IUPAC[3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2ccc3sc4ccccc4c3c2)c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1[2H]
InChIInChI=1S/C66H44N2SSi/c1-4-20-49(21-5-1)70(50-22-6-2-7-23-50,51-24-8-3-9-25-51)52-26-18-19-47(43-52)67-61-32-15-12-29-55(61)58-41-45(35-38-63(58)67)53-27-10-11-28-54(53)46-36-39-64-59(42-46)56-30-13-16-33-62(56)68(64)48-37-40-66-60(44-48)57-31-14-17-34-65(57)69-66/h1-44H/i10D,11D,12D,13D,15D,16D,27D,28D,29D,30D,32D,33D,35D,36D,38D,39D,41D,42D
InChIKeyFWPXAWVZONGMCK-ZGXHBQENSA-N
MW943.35 g/mol
LogP14.96
Rot. Bonds8

About [3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane

[3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 177122568) has the molecular formula C66H44N2SSi and a molecular weight of 943.35 g/mol. Its IUPAC name is [3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane
PubChem CID177122568
Molecular FormulaC66H44N2SSi
Molecular Weight943.35 g/mol
Exact Mass942.41
IUPAC Name[3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2ccc3sc4ccccc4c3c2)c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1[2H]
InChIInChI=1S/C66H44N2SSi/c1-4-20-49(21-5-1)70(50-22-6-2-7-23-50,51-24-8-3-9-25-51)52-26-18-19-47(43-52)67-61-32-15-12-29-55(61)58-41-45(35-38-63(58)67)53-27-10-11-28-54(53)46-36-39-64-59(42-46)56-30-13-16-33-62(56)68(64)48-37-40-66-60(44-48)57-31-14-17-34-65(57)69-66/h1-44H/i10D,11D,12D,13D,15D,16D,27D,28D,29D,30D,32D,33D,35D,36D,38D,39D,41D,42D
InChIKeyFWPXAWVZONGMCK-ZGXHBQENSA-N
XLogP14.96
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.35
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane 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-dibenzothiophen-3-ylcarbazol-3-yl)-9-(2,4,6-trideuteriophenyl)carbazole
CID 172512112
1,2,3,4,5,7,8-heptadeuterio-6-(9-dibenzothiophen-2-yl-5-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 169012025
[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588164
[3-[3-carbazol-9-yl-5-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7-hexadeuterio-3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 176784836
[1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 88565814
1,2,3,4,5,7,8-heptadeuterio-6-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 176767051
dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170779721
1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 164788730
[3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 171458385
[3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane
CID 172534654
triphenyl-[3-[3-[3-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588745
[3-[3-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 165019788

Frequently Asked Questions

What is the IUPAC name of [3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane (CID 177122568) is [3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2ccc3sc4ccccc4c3c2)c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1[2H].
What is the InChIKey of [3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane?
The InChIKey is FWPXAWVZONGMCK-ZGXHBQENSA-N. The full InChI is InChI=1S/C66H44N2SSi/c1-4-20-49(21-5-1)70(50-22-6-2-7-23-50,51-24-8-3-9-25-51)52-26-18-19-47(43-52)67-61-32-15-12-29-55(61)58-41-45(35-38-63(58)67)53-27-10-11-28-54(53)46-36-39-64-59(42-46)56-30-13-16-33-62(56)68(64)48-37-40-66-60(44-48)57-31-14-17-34-65(57)69-66/h1-44H/i10D,11D,12D,13D,15D,16D,27D,28D,29D,30D,32D,33D,35D,36D,38D,39D,41D,42D.
What are the key properties of [3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane?
[3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 943.35 g/mol, XLogP of 14.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 177122568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).