[4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane

C30H29GeN3O — CID 162692980

IUPAC[4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane
SMILESCc1ccc2c(n1)oc1c(-c3ncnc4c3ccc3cc(C)c([Ge](C)(C)C)c(C)c34)ccc(C)c12
InChIInChI=1S/C30H29GeN3O/c1-16-8-11-23(29-24(16)21-12-9-18(3)34-30(21)35-29)27-22-13-10-20-14-17(2)26(31(5,6)7)19(4)25(20)28(22)33-15-32-27/h8-15H,1-7H3
InChIKeyMQDXNGQCBXVQCF-UHFFFAOYSA-N
MW520.19 g/mol
LogP7.52
Rot. Bonds2

About [4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane

[4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane (PubChem CID 162692980) has the molecular formula C30H29GeN3O and a molecular weight of 520.19 g/mol. Its IUPAC name is [4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane.

Molecular Properties

Compound Name[4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane
PubChem CID162692980
Molecular FormulaC30H29GeN3O
Molecular Weight520.19 g/mol
Exact Mass521.15
IUPAC Name[4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane
SMILESCc1ccc2c(n1)oc1c(-c3ncnc4c3ccc3cc(C)c([Ge](C)(C)C)c(C)c34)ccc(C)c12
InChIInChI=1S/C30H29GeN3O/c1-16-8-11-23(29-24(16)21-12-9-18(3)34-30(21)35-29)27-22-13-10-20-14-17(2)26(31(5,6)7)19(4)25(20)28(22)33-15-32-27/h8-15H,1-7H3
InChIKeyMQDXNGQCBXVQCF-UHFFFAOYSA-N
XLogP7.52
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.19
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
[4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane
CID 176722779
(4-dibenzofuran-4-yl-8,10-dimethylbenzo[h]quinazolin-9-yl)-trimethylsilane
CID 162692418
trimethyl-[2,8,10-trimethyl-4-[7-(6-methyl-3-pyridinyl)dibenzofuran-4-yl]benzo[h]quinazolin-9-yl]germane
CID 162692592
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 155612523
2,5-dimethyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 153210796
2-methyl-8-(6-phenylfuro[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]pyridine
CID 153444870
5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 155611770
8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162692686
8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 122419767
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

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane?
The IUPAC name of [4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane (CID 162692980) is [4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane.
What is the SMILES notation for [4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane?
The canonical SMILES for [4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane is Cc1ccc2c(n1)oc1c(-c3ncnc4c3ccc3cc(C)c([Ge](C)(C)C)c(C)c34)ccc(C)c12.
What is the InChIKey of [4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane?
The InChIKey is MQDXNGQCBXVQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29GeN3O/c1-16-8-11-23(29-24(16)21-12-9-18(3)34-30(21)35-29)27-22-13-10-20-14-17(2)26(31(5,6)7)19(4)25(20)28(22)33-15-32-27/h8-15H,1-7H3.
What are the key properties of [4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane?
[4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane has a molecular weight of 520.19 g/mol, XLogP of 7.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane is sourced from PubChem (CID 162692980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).