[3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane

C61H50N4Si — CID 177091136

IUPAC[3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
SMILES[2H]c1c([2H])c([2H])c([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-n3c4ccc(N5c6cnccc6C6(C)CCCCC56C)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C61H50N4Si/c1-60-36-16-17-37-61(60,2)65(59-42-62-38-35-54(59)60)45-32-34-58-53(41-45)52-40-44(64-55-29-14-12-27-50(55)51-28-13-15-30-56(51)64)31-33-57(52)63(58)43-19-18-26-49(39-43)66(46-20-6-3-7-21-46,47-22-8-4-9-23-47)48-24-10-5-11-25-48/h3-15,18-35,38-42H,16-17,36-37H2,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,18D,19D,20D,21D,22D,23D,24D,25D,26D,39D
InChIKeyDSCURTCRRUTICN-ZPLRUYGHSA-N
MW886.30 g/mol
LogP12.40
Rot. Bonds7

About [3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane

[3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane (PubChem CID 177091136) has the molecular formula C61H50N4Si and a molecular weight of 886.30 g/mol. Its IUPAC name is [3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane.

Molecular Properties

Compound Name[3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
PubChem CID177091136
Molecular FormulaC61H50N4Si
Molecular Weight886.30 g/mol
Exact Mass885.50
IUPAC Name[3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
SMILES[2H]c1c([2H])c([2H])c([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-n3c4ccc(N5c6cnccc6C6(C)CCCCC56C)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C61H50N4Si/c1-60-36-16-17-37-61(60,2)65(59-42-62-38-35-54(59)60)45-32-34-58-53(41-45)52-40-44(64-55-29-14-12-27-50(55)51-28-13-15-30-56(51)64)31-33-57(52)63(58)43-19-18-26-49(39-43)66(46-20-6-3-7-21-46,47-22-8-4-9-23-47)48-24-10-5-11-25-48/h3-15,18-35,38-42H,16-17,36-37H2,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,18D,19D,20D,21D,22D,23D,24D,25D,26D,39D
InChIKeyDSCURTCRRUTICN-ZPLRUYGHSA-N
XLogP12.40
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.30
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[3-[3-(5a,9a-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-6-pyrido[4,3-b]indol-5-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
CID 177091154
[3-[3-(5a,9a-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]indol-5-yl)carbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
CID 177091141
[3-[3-(5a,9a-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]indol-5-yl)carbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-dibenzofuran-4-yl-bis(2,3,4,5,6-pentadeuteriophenyl)silane
CID 177091123
(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane
CID 164756684
9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-3,6-ditert-butylcarbazole
CID 166014727
5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole
CID 177091165
[3-[2-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane
CID 177132983
[3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
CID 177083288
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane
CID 164756562
[3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 177133012
[3-(6-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
CID 176802947

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?
The IUPAC name of [3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane (CID 177091136) is [3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane.
What is the SMILES notation for [3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?
The canonical SMILES for [3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane is [2H]c1c([2H])c([2H])c([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-n3c4ccc(N5c6cnccc6C6(C)CCCCC56C)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2[2H])c([2H])c1[2H].
What is the InChIKey of [3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?
The InChIKey is DSCURTCRRUTICN-ZPLRUYGHSA-N. The full InChI is InChI=1S/C61H50N4Si/c1-60-36-16-17-37-61(60,2)65(59-42-62-38-35-54(59)60)45-32-34-58-53(41-45)52-40-44(64-55-29-14-12-27-50(55)51-28-13-15-30-56(51)64)31-33-57(52)63(58)43-19-18-26-49(39-43)66(46-20-6-3-7-21-46,47-22-8-4-9-23-47)48-24-10-5-11-25-48/h3-15,18-35,38-42H,16-17,36-37H2,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,18D,19D,20D,21D,22D,23D,24D,25D,26D,39D.
What are the key properties of [3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?
[3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane has a molecular weight of 886.30 g/mol, XLogP of 12.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[3,4-b]indol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane is sourced from PubChem (CID 177091136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).