1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline

C30H20N2O — CID 162693383

IUPAC1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline
SMILESCc1nc(-c2cccc3c2oc2ccccc23)c2ccc3c4ccccc4cc(C)c3c2n1
InChIInChI=1S/C30H20N2O/c1-17-16-19-8-3-4-9-20(19)22-14-15-24-28(31-18(2)32-29(24)27(17)22)25-12-7-11-23-21-10-5-6-13-26(21)33-30(23)25/h3-16H,1-2H3
InChIKeyXTFMHADKOWRZIV-UHFFFAOYSA-N
MW424.50 g/mol
LogP8.12
Rot. Bonds1

About 1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline

1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline (PubChem CID 162693383) has the molecular formula C30H20N2O and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline.

Molecular Properties

Compound Name1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline
PubChem CID162693383
Molecular FormulaC30H20N2O
Molecular Weight424.50 g/mol
Exact Mass424.16
IUPAC Name1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline
SMILESCc1nc(-c2cccc3c2oc2ccccc23)c2ccc3c4ccccc4cc(C)c3c2n1
InChIInChI=1S/C30H20N2O/c1-17-16-19-8-3-4-9-20(19)22-14-15-24-28(31-18(2)32-29(24)27(17)22)25-12-7-11-23-21-10-5-6-13-26(21)33-30(23)25/h3-16H,1-2H3
InChIKeyXTFMHADKOWRZIV-UHFFFAOYSA-N
XLogP8.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-dibenzofuran-4-yl-10-methyl-2-propan-2-ylbenzo[h]quinazolin-8-yl)-trimethylgermane
CID 162693027
8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162692686
(4-dibenzofuran-4-yl-8,10-dimethylbenzo[h]quinazolin-9-yl)-trimethylsilane
CID 162692418
3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline
CID 159945205
trimethyl-[2,8,10-trimethyl-4-[7-(6-methyl-3-pyridinyl)dibenzofuran-4-yl]benzo[h]quinazolin-9-yl]germane
CID 162692592
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
4-anthracen-9-yldibenzofuran
CID 167187282
4-(9-phenanthren-2-ylchrysen-3-yl)dibenzofuran
CID 118520836
2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine
CID 176722744
4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline
CID 162692391
4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline
CID 162693258
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine
CID 170131612

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline?
The IUPAC name of 1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline (CID 162693383) is 1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline.
What is the SMILES notation for 1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline?
The canonical SMILES for 1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline is Cc1nc(-c2cccc3c2oc2ccccc23)c2ccc3c4ccccc4cc(C)c3c2n1.
What is the InChIKey of 1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline?
The InChIKey is XTFMHADKOWRZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O/c1-17-16-19-8-3-4-9-20(19)22-14-15-24-28(31-18(2)32-29(24)27(17)22)25-12-7-11-23-21-10-5-6-13-26(21)33-30(23)25/h3-16H,1-2H3.
What are the key properties of 1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline?
1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline has a molecular weight of 424.50 g/mol, XLogP of 8.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline is sourced from PubChem (CID 162693383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).