4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline

C36H38N2O — CID 162692866

IUPAC4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
SMILESCc1ccc2c(c1)oc1c(-c3nc(C(C)C)nc4c3ccc3cc(CC(C)C)cc(CC(C)C)c34)cccc12
InChIInChI=1S/C36H38N2O/c1-20(2)15-24-18-25-12-14-29-33(30-10-8-9-28-27-13-11-23(7)17-31(27)39-35(28)30)37-36(22(5)6)38-34(29)32(25)26(19-24)16-21(3)4/h8-14,17-22H,15-16H2,1-7H3
InChIKeyRNCZSGLGFDGDHJ-UHFFFAOYSA-N
MW514.71 g/mol
LogP10.18
Rot. Bonds6

About 4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline

4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline (PubChem CID 162692866) has the molecular formula C36H38N2O and a molecular weight of 514.71 g/mol. Its IUPAC name is 4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline.

Molecular Properties

Compound Name4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
PubChem CID162692866
Molecular FormulaC36H38N2O
Molecular Weight514.71 g/mol
Exact Mass514.30
IUPAC Name4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
SMILESCc1ccc2c(c1)oc1c(-c3nc(C(C)C)nc4c3ccc3cc(CC(C)C)cc(CC(C)C)c34)cccc12
InChIInChI=1S/C36H38N2O/c1-20(2)15-24-18-25-12-14-29-33(30-10-8-9-28-27-13-11-23(7)17-31(27)39-35(28)30)37-36(22(5)6)38-34(29)32(25)26(19-24)16-21(3)4/h8-14,17-22H,15-16H2,1-7H3
InChIKeyRNCZSGLGFDGDHJ-UHFFFAOYSA-N
XLogP10.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline with MolForge

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Related Compounds

4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
CID 162692524
8-[10-methyl-8-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazolin-4-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 162692534
(4-dibenzofuran-4-yl-10-methyl-2-propan-2-ylbenzo[h]quinazolin-8-yl)-trimethylgermane
CID 162693027
4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline
CID 162692996
9-methylphenanthro[1,2-b][1]benzofuran
CID 158951107
3,6-dimethyldibenzofuran;ethane
CID 142097287
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;4-(1-methyl-3H-dibenzofuran-3-id-4-yl)-10-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
CID 162693392
2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
CID 162707916
1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline
CID 162693383
8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline
CID 162692667
4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline
CID 162692647
2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine
CID 166573874

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline?
The IUPAC name of 4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline (CID 162692866) is 4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline.
What is the SMILES notation for 4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline?
The canonical SMILES for 4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline is Cc1ccc2c(c1)oc1c(-c3nc(C(C)C)nc4c3ccc3cc(CC(C)C)cc(CC(C)C)c34)cccc12.
What is the InChIKey of 4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline?
The InChIKey is RNCZSGLGFDGDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2O/c1-20(2)15-24-18-25-12-14-29-33(30-10-8-9-28-27-13-11-23(7)17-31(27)39-35(28)30)37-36(22(5)6)38-34(29)32(25)26(19-24)16-21(3)4/h8-14,17-22H,15-16H2,1-7H3.
What are the key properties of 4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline?
4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline has a molecular weight of 514.71 g/mol, XLogP of 10.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline is sourced from PubChem (CID 162692866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).