trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane

C31H31N3OSi — CID 162692555

IUPACtrimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane
SMILESCc1nc(-c2ccc(C)c3c2oc2ncccc23)c2cc(C)c3cc(C)c([Si](C)(C)C)c(C)c3c2n1
InChIInChI=1S/C31H31N3OSi/c1-16-11-12-22(29-25(16)21-10-9-13-32-31(21)35-29)27-24-14-17(2)23-15-18(3)30(36(6,7)8)19(4)26(23)28(24)34-20(5)33-27/h9-15H,1-8H3
InChIKeyODQLFVVRTALMJB-UHFFFAOYSA-N
MW489.70 g/mol
LogP7.83
Rot. Bonds2

About trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane

trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane (PubChem CID 162692555) has the molecular formula C31H31N3OSi and a molecular weight of 489.70 g/mol. Its IUPAC name is trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane.

Molecular Properties

Compound Nametrimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane
PubChem CID162692555
Molecular FormulaC31H31N3OSi
Molecular Weight489.70 g/mol
Exact Mass489.22
IUPAC Nametrimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane
SMILESCc1nc(-c2ccc(C)c3c2oc2ncccc23)c2cc(C)c3cc(C)c([Si](C)(C)C)c(C)c3c2n1
InChIInChI=1S/C31H31N3OSi/c1-16-11-12-22(29-25(16)21-10-9-13-32-31(21)35-29)27-24-14-17(2)23-15-18(3)30(36(6,7)8)19(4)26(23)28(24)34-20(5)33-27/h9-15H,1-8H3
InChIKeyODQLFVVRTALMJB-UHFFFAOYSA-N
XLogP7.83
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.70
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

[8,10-dimethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]-trimethylsilane
CID 176722750
8-(9-fluoro-8,10-dimethylbenzo[h]quinazolin-4-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 162693306
5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669036
8-(1,5-dimethylpyridin-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 153237527
8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156669661
8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162692686
8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156668121
1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline
CID 162693383
8-(9-cyclopentyl-2,8,10-trimethylbenzo[h]quinazolin-4-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);[2,10-dimethyl-4-(2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)benzo[h]quinazolin-8-yl]-trimethylgermane;tetrakis(iridium);trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)benzo[h]quinazolin-9-yl]silane;trimethyl-[2,8,10-trimethyl-4-(2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)benzo[h]quinazolin-9-yl]germane
CID 163537473
(4-dibenzofuran-4-yl-8,10-dimethylbenzo[h]quinazolin-9-yl)-trimethylsilane
CID 162692418
5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 155611770
3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158374542

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane?
The IUPAC name of trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane (CID 162692555) is trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane.
What is the SMILES notation for trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane?
The canonical SMILES for trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane is Cc1nc(-c2ccc(C)c3c2oc2ncccc23)c2cc(C)c3cc(C)c([Si](C)(C)C)c(C)c3c2n1.
What is the InChIKey of trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane?
The InChIKey is ODQLFVVRTALMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3OSi/c1-16-11-12-22(29-25(16)21-10-9-13-32-31(21)35-29)27-24-14-17(2)23-15-18(3)30(36(6,7)8)19(4)26(23)28(24)34-20(5)33-27/h9-15H,1-8H3.
What are the key properties of trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane?
trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane has a molecular weight of 489.70 g/mol, XLogP of 7.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2,6,8,10-tetramethyl-4-(5-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)benzo[h]quinazolin-9-yl]silane is sourced from PubChem (CID 162692555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).