7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline

C31H20N2O — CID 162693118

IUPAC7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline
SMILESCc1cccc2c1ccc1c(-c3cccc4c3oc3cc(-c5ccccc5)ccc34)ncnc12
InChIInChI=1S/C31H20N2O/c1-19-7-5-10-24-22(19)15-16-26-29(24)32-18-33-30(26)27-12-6-11-25-23-14-13-21(17-28(23)34-31(25)27)20-8-3-2-4-9-20/h2-18H,1H3
InChIKeyDLTBBIPBBHWJGZ-UHFFFAOYSA-N
MW436.51 g/mol
LogP8.32
Rot. Bonds2

About 7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline

7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline (PubChem CID 162693118) has the molecular formula C31H20N2O and a molecular weight of 436.51 g/mol. Its IUPAC name is 7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline.

Molecular Properties

Compound Name7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline
PubChem CID162693118
Molecular FormulaC31H20N2O
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC Name7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline
SMILESCc1cccc2c1ccc1c(-c3cccc4c3oc3cc(-c5ccccc5)ccc34)ncnc12
InChIInChI=1S/C31H20N2O/c1-19-7-5-10-24-22(19)15-16-26-29(24)32-18-33-30(26)27-12-6-11-25-23-14-13-21(17-28(23)34-31(25)27)20-8-3-2-4-9-20/h2-18H,1H3
InChIKeyDLTBBIPBBHWJGZ-UHFFFAOYSA-N
XLogP8.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 58.32
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-6-methylbenzo[h]quinazoline
CID 162692391
(4-dibenzofuran-4-yl-8,10-dimethylbenzo[h]quinazolin-9-yl)-trimethylsilane
CID 162692418
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2,4-diphenyl-6-[7-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 166953095
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
3,4-dimethyl-7-phenyldibenzofuran
CID 167687602
2-dibenzofuran-4-yl-4-[4-(6-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 177269991
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
8-(4-phenylphenyl)-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 167236752
4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826473

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline?
The IUPAC name of 7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline (CID 162693118) is 7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline.
What is the SMILES notation for 7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline?
The canonical SMILES for 7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline is Cc1cccc2c1ccc1c(-c3cccc4c3oc3cc(-c5ccccc5)ccc34)ncnc12.
What is the InChIKey of 7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline?
The InChIKey is DLTBBIPBBHWJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O/c1-19-7-5-10-24-22(19)15-16-26-29(24)32-18-33-30(26)27-12-6-11-25-23-14-13-21(17-28(23)34-31(25)27)20-8-3-2-4-9-20/h2-18H,1H3.
What are the key properties of 7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline?
7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline has a molecular weight of 436.51 g/mol, XLogP of 8.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(7-phenyldibenzofuran-4-yl)benzo[h]quinazoline is sourced from PubChem (CID 162693118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).