[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

C55H45N3OSi — CID 177091123

IUPAC[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
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(-n3c4ccccc4c4cc(N5c6ccncc6C6(C)CCCCC56C)ccc43)c2[2H])c2cccc3c2oc2ccccc23)c([2H])c1[2H]
InChIInChI=1S/C55H45N3OSi/c1-54-32-13-14-33-55(54,2)58(50-31-34-56-37-47(50)54)39-29-30-49-46(36-39)43-23-9-11-26-48(43)57(49)38-17-15-22-42(35-38)60(40-18-5-3-6-19-40,41-20-7-4-8-21-41)52-28-16-25-45-44-24-10-12-27-51(44)59-53(45)52/h3-12,15-31,34-37H,13-14,32-33H2,1-2H3/i3D,4D,5D,6D,7D,8D,15D,17D,18D,19D,20D,21D,22D,35D
InChIKeyFUDHBWGTLMMVBD-OOFVBZBISA-N
MW806.16 g/mol
LogP11.20
Rot. Bonds6

About [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

[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 (PubChem CID 177091123) has the molecular formula C55H45N3OSi and a molecular weight of 806.16 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID177091123
Molecular FormulaC55H45N3OSi
Molecular Weight806.16 g/mol
Exact Mass805.42
IUPAC Name[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
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(-n3c4ccccc4c4cc(N5c6ccncc6C6(C)CCCCC56C)ccc43)c2[2H])c2cccc3c2oc2ccccc23)c([2H])c1[2H]
InChIInChI=1S/C55H45N3OSi/c1-54-32-13-14-33-55(54,2)58(50-31-34-56-37-47(50)54)39-29-30-49-46(36-39)43-23-9-11-26-48(43)57(49)38-17-15-22-42(35-38)60(40-18-5-3-6-19-40,41-20-7-4-8-21-41)52-28-16-25-45-44-24-10-12-27-51(44)59-53(45)52/h3-12,15-31,34-37H,13-14,32-33H2,1-2H3/i3D,4D,5D,6D,7D,8D,15D,17D,18D,19D,20D,21D,22D,35D
InChIKeyFUDHBWGTLMMVBD-OOFVBZBISA-N
XLogP11.20
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.16
LogP ≤ 511.20
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'}

Analyze [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 with MolForge

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Related Compounds

[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)-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-(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
[9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
CID 164756707
[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane
CID 140924385
[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
5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole
CID 177091165
(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane
CID 164756562
[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
dibenzofuran-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
CID 89397692
dibenzofuran-4-yl-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-4-yl]-diphenylsilane;dibenzofuran-4-yl-diphenyl-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)pyrimidin-4-yl]silane
CID 158131885
[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-triphenylsilane
CID 164756610

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 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(-n3c4ccccc4c4cc(N5c6ccncc6C6(C)CCCCC56C)ccc43)c2[2H])c2cccc3c2oc2ccccc23)c([2H])c1[2H].
What is the InChIKey of [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?
The InChIKey is FUDHBWGTLMMVBD-OOFVBZBISA-N. The full InChI is InChI=1S/C55H45N3OSi/c1-54-32-13-14-33-55(54,2)58(50-31-34-56-37-47(50)54)39-29-30-49-46(36-39)43-23-9-11-26-48(43)57(49)38-17-15-22-42(35-38)60(40-18-5-3-6-19-40,41-20-7-4-8-21-41)52-28-16-25-45-44-24-10-12-27-51(44)59-53(45)52/h3-12,15-31,34-37H,13-14,32-33H2,1-2H3/i3D,4D,5D,6D,7D,8D,15D,17D,18D,19D,20D,21D,22D,35D.
What are the key properties of [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?
[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 has a molecular weight of 806.16 g/mol, XLogP of 11.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 177091123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).