4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline

C27H20N2O — CID 162693258

IUPAC4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline
SMILESCC(C)c1cccc2ccc3c(-c4cccc5c4oc4ccccc45)ncnc3c12
InChIInChI=1S/C27H20N2O/c1-16(2)18-9-5-7-17-13-14-21-25(28-15-29-26(21)24(17)18)22-11-6-10-20-19-8-3-4-12-23(19)30-27(20)22/h3-16H,1-2H3
InChIKeyXVIJCKGNXUQNKL-UHFFFAOYSA-N
MW388.47 g/mol
LogP7.47
Rot. Bonds2

About 4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline

4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline (PubChem CID 162693258) has the molecular formula C27H20N2O and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline
PubChem CID162693258
Molecular FormulaC27H20N2O
Molecular Weight388.47 g/mol
Exact Mass388.16
IUPAC Name4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline
SMILESCC(C)c1cccc2ccc3c(-c4cccc5c4oc4ccccc45)ncnc3c12
InChIInChI=1S/C27H20N2O/c1-16(2)18-9-5-7-17-13-14-21-25(28-15-29-26(21)24(17)18)22-11-6-10-20-19-8-3-4-12-23(19)30-27(20)22/h3-16H,1-2H3
InChIKeyXVIJCKGNXUQNKL-UHFFFAOYSA-N
XLogP7.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 57.47
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-8,10-dimethylbenzo[h]quinazolin-9-yl)-trimethylsilane
CID 162692418
4-(2-propan-2-ylphenyl)benzo[h]quinazoline
CID 140737642
4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline
CID 162692391
2-methyl-8-(2-methyl-10-propan-2-ylbenzo[h]quinazolin-4-yl)-[1]benzofuro[2,3-b]pyridine
CID 176722744
2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 146658795
(4-dibenzofuran-4-yl-10-methyl-2-propan-2-ylbenzo[h]quinazolin-8-yl)-trimethylgermane
CID 162693027
7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline
CID 162693118
1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline
CID 162693383
4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
CID 162692524
4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118564981
4-[3-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 58273516
8-tert-butyl-4-dibenzofuran-4-ylbenzo[f]isoquinoline
CID 118566739

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline?
The IUPAC name of 4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline (CID 162693258) is 4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline.
What is the SMILES notation for 4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline?
The canonical SMILES for 4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline is CC(C)c1cccc2ccc3c(-c4cccc5c4oc4ccccc45)ncnc3c12.
What is the InChIKey of 4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline?
The InChIKey is XVIJCKGNXUQNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O/c1-16(2)18-9-5-7-17-13-14-21-25(28-15-29-26(21)24(17)18)22-11-6-10-20-19-8-3-4-12-23(19)30-27(20)22/h3-16H,1-2H3.
What are the key properties of 4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline?
4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline has a molecular weight of 388.47 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline is sourced from PubChem (CID 162693258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).