[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

C49H43N3Si — CID 177091141

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]-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(-n3c4ccccc4c4cc(N5c6ccncc6C6(C)CCCCC56C)ccc43)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C49H43N3Si/c1-48-30-14-15-31-49(48,2)52(47-29-32-50-35-44(47)48)37-27-28-46-43(34-37)42-25-12-13-26-45(42)51(46)36-17-16-24-41(33-36)53(38-18-6-3-7-19-38,39-20-8-4-9-21-39)40-22-10-5-11-23-40/h3-13,16-29,32-35H,14-15,30-31H2,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,16D,17D,18D,19D,20D,21D,22D,23D,24D,33D
InChIKeyRVDTXKOJFLCCHD-BFPWJOAISA-N
MW721.11 g/mol
LogP9.30
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]-tris(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]-tris(2,3,4,5,6-pentadeuteriophenyl)silane (PubChem CID 177091141) has the molecular formula C49H43N3Si and a molecular weight of 721.11 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]-tris(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]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
PubChem CID177091141
Molecular FormulaC49H43N3Si
Molecular Weight721.11 g/mol
Exact Mass720.44
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]-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(-n3c4ccccc4c4cc(N5c6ccncc6C6(C)CCCCC56C)ccc43)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C49H43N3Si/c1-48-30-14-15-31-49(48,2)52(47-29-32-50-35-44(47)48)37-27-28-46-43(34-37)42-25-12-13-26-45(42)51(46)36-17-16-24-41(33-36)53(38-18-6-3-7-19-38,39-20-8-4-9-21-39)40-22-10-5-11-23-40/h3-13,16-29,32-35H,14-15,30-31H2,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,16D,17D,18D,19D,20D,21D,22D,23D,24D,33D
InChIKeyRVDTXKOJFLCCHD-BFPWJOAISA-N
XLogP9.30
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.11
LogP ≤ 59.30
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'}

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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-(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
[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
5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole
CID 177091165
[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
9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-3,6-ditert-butylcarbazole
CID 166014727
[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-[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
bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,4,5,6,7-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
CID 177285328
[3-(4a,9a-dimethyl-6-pyrimidin-5-yl-1,2,3,4-tetrahydrocarbazol-9-yl)carbazol-9-yl]-bis(3-tert-butylphenyl)-(3-phenylphenyl)silane
CID 177133033

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]-tris(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]-tris(2,3,4,5,6-pentadeuteriophenyl)silane (CID 177091141) 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]-tris(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]-tris(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]-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(-n3c4ccccc4c4cc(N5c6ccncc6C6(C)CCCCC56C)ccc43)c2[2H])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]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?
The InChIKey is RVDTXKOJFLCCHD-BFPWJOAISA-N. The full InChI is InChI=1S/C49H43N3Si/c1-48-30-14-15-31-49(48,2)52(47-29-32-50-35-44(47)48)37-27-28-46-43(34-37)42-25-12-13-26-45(42)51(46)36-17-16-24-41(33-36)53(38-18-6-3-7-19-38,39-20-8-4-9-21-39)40-22-10-5-11-23-40/h3-13,16-29,32-35H,14-15,30-31H2,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,16D,17D,18D,19D,20D,21D,22D,23D,24D,33D.
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]-tris(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]-tris(2,3,4,5,6-pentadeuteriophenyl)silane has a molecular weight of 721.11 g/mol, XLogP of 9.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 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]-tris(2,3,4,5,6-pentadeuteriophenyl)silane is sourced from PubChem (CID 177091141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).