[4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane

C27H23GeN3O — CID 176722779

IUPAC[4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane
SMILESCc1cc([Ge](C)(C)C)cc2ccc3c(-c4cccc5c4oc4ncccc45)ncnc3c12
InChIInChI=1S/C27H23GeN3O/c1-16-13-18(28(2,3)4)14-17-10-11-21-24(30-15-31-25(21)23(16)17)22-8-5-7-19-20-9-6-12-29-27(20)32-26(19)22/h5-15H,1-4H3
InChIKeyLWLRGXJPSQTDFI-UHFFFAOYSA-N
MW478.11 g/mol
LogP6.60
Rot. Bonds2

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

[4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane (PubChem CID 176722779) has the molecular formula C27H23GeN3O and a molecular weight of 478.11 g/mol. Its IUPAC name is [4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane.

Molecular Properties

Compound Name[4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane
PubChem CID176722779
Molecular FormulaC27H23GeN3O
Molecular Weight478.11 g/mol
Exact Mass479.11
IUPAC Name[4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane
SMILESCc1cc([Ge](C)(C)C)cc2ccc3c(-c4cccc5c4oc4ncccc45)ncnc3c12
InChIInChI=1S/C27H23GeN3O/c1-16-13-18(28(2,3)4)14-17-10-11-21-24(30-15-31-25(21)23(16)17)22-8-5-7-19-20-9-6-12-29-27(20)32-26(19)22/h5-15H,1-4H3
InChIKeyLWLRGXJPSQTDFI-UHFFFAOYSA-N
XLogP6.60
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.11
LogP ≤ 56.60
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-dibenzofuran-4-yl-10-methyl-2-propan-2-ylbenzo[h]quinazolin-8-yl)-trimethylgermane
CID 162693027
(4-dibenzofuran-4-yl-8,10-dimethylbenzo[h]quinazolin-9-yl)-trimethylsilane
CID 162692418
[4-(2,5-dimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)-8,10-dimethylbenzo[h]quinazolin-9-yl]-trimethylgermane
CID 162692980
4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline
CID 162693258
8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162692686
4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline
CID 162692391
7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline
CID 162693118
8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 162692534
2-methyl-8-(6-phenylfuro[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]pyridine
CID 153444870
8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 170293616

Frequently Asked Questions

What is the IUPAC name of [4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane?
The IUPAC name of [4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane (CID 176722779) is [4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane.
What is the SMILES notation for [4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane?
The canonical SMILES for [4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane is Cc1cc([Ge](C)(C)C)cc2ccc3c(-c4cccc5c4oc4ncccc45)ncnc3c12.
What is the InChIKey of [4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane?
The InChIKey is LWLRGXJPSQTDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23GeN3O/c1-16-13-18(28(2,3)4)14-17-10-11-21-24(30-15-31-25(21)23(16)17)22-8-5-7-19-20-9-6-12-29-27(20)32-26(19)22/h5-15H,1-4H3.
What are the key properties of [4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane?
[4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane has a molecular weight of 478.11 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-([1]benzofuro[2,3-b]pyridin-8-yl)-10-methylbenzo[h]quinazolin-8-yl]-trimethylgermane is sourced from PubChem (CID 176722779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).