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

C35H36N2O — CID 162692524

IUPAC4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
SMILESCC(C)Cc1cc(CC(C)C)c2c(ccc3c(-c4cccc5c4oc4ccccc45)nc(C(C)C)nc32)c1
InChIInChI=1S/C35H36N2O/c1-20(2)16-23-18-24-14-15-28-32(29-12-9-11-27-26-10-7-8-13-30(26)38-34(27)29)36-35(22(5)6)37-33(28)31(24)25(19-23)17-21(3)4/h7-15,18-22H,16-17H2,1-6H3
InChIKeyVFFLHUOSCUOIPI-UHFFFAOYSA-N
MW500.69 g/mol
LogP9.87
Rot. Bonds6

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

4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline (PubChem CID 162692524) has the molecular formula C35H36N2O and a molecular weight of 500.69 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
PubChem CID162692524
Molecular FormulaC35H36N2O
Molecular Weight500.69 g/mol
Exact Mass500.28
IUPAC Name4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
SMILESCC(C)Cc1cc(CC(C)C)c2c(ccc3c(-c4cccc5c4oc4ccccc45)nc(C(C)C)nc32)c1
InChIInChI=1S/C35H36N2O/c1-20(2)16-23-18-24-14-15-28-32(29-12-9-11-27-26-10-7-8-13-30(26)38-34(27)29)36-35(22(5)6)37-33(28)31(24)25(19-23)17-21(3)4/h7-15,18-22H,16-17H2,1-6H3
InChIKeyVFFLHUOSCUOIPI-UHFFFAOYSA-N
XLogP9.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 59.87
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-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
CID 162692866
(4-dibenzofuran-4-yl-10-methyl-2-propan-2-ylbenzo[h]quinazolin-8-yl)-trimethylgermane
CID 162693027
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-propan-2-ylbenzo[h]quinazoline
CID 162693258
3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline
CID 140916453
1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline
CID 162693383
(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
(4-dibenzofuran-4-yl-8,10-dimethylbenzo[h]quinazolin-9-yl)-trimethylsilane
CID 162692418
4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran
CID 87688509
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran
CID 123603110
4-bromo-2-(2-methylpropyl)dibenzofuran
CID 166913108
2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
CID 162707916

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline?
The IUPAC name of 4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline (CID 162692524) is 4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline.
What is the SMILES notation for 4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline?
The canonical SMILES for 4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline is CC(C)Cc1cc(CC(C)C)c2c(ccc3c(-c4cccc5c4oc4ccccc45)nc(C(C)C)nc32)c1.
What is the InChIKey of 4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline?
The InChIKey is VFFLHUOSCUOIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N2O/c1-20(2)16-23-18-24-14-15-28-32(29-12-9-11-27-26-10-7-8-13-30(26)38-34(27)29)36-35(22(5)6)37-33(28)31(24)25(19-23)17-21(3)4/h7-15,18-22H,16-17H2,1-6H3.
What are the key properties of 4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline?
4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline has a molecular weight of 500.69 g/mol, XLogP of 9.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline is sourced from PubChem (CID 162692524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).