8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline

C32H30N2O — CID 162692667

IUPAC8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline
SMILESCc1ccc2c(c1)oc1c(-c3nc(C)nc4c3ccc3cc(C(C)(C)C)cc(C)c34)cc(C)cc12
InChIInChI=1S/C32H30N2O/c1-17-8-10-23-25-12-18(2)13-26(31(25)35-27(23)14-17)29-24-11-9-21-16-22(32(5,6)7)15-19(3)28(21)30(24)34-20(4)33-29/h8-16H,1-7H3
InChIKeyZMOIDJLCZIEASQ-UHFFFAOYSA-N
MW458.61 g/mol
LogP8.88
Rot. Bonds1

About 8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline

8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline (PubChem CID 162692667) has the molecular formula C32H30N2O and a molecular weight of 458.61 g/mol. Its IUPAC name is 8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline.

Molecular Properties

Compound Name8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline
PubChem CID162692667
Molecular FormulaC32H30N2O
Molecular Weight458.61 g/mol
Exact Mass458.24
IUPAC Name8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline
SMILESCc1ccc2c(c1)oc1c(-c3nc(C)nc4c3ccc3cc(C(C)(C)C)cc(C)c34)cc(C)cc12
InChIInChI=1S/C32H30N2O/c1-17-8-10-23-25-12-18(2)13-26(31(25)35-27(23)14-17)29-24-11-9-21-16-22(32(5,6)7)15-19(3)28(21)30(24)34-20(4)33-29/h8-16H,1-7H3
InChIKeyZMOIDJLCZIEASQ-UHFFFAOYSA-N
XLogP8.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 58.88
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

8-tert-butyl-2,10-dimethyl-4-(7-methyl-3H-dibenzofuran-3-id-4-yl)benzo[h]quinazoline;(Z)-5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;iridium
CID 176722766
1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline
CID 162693383
1-(8-tert-butyl-7-fluoro-2-methyldibenzofuran-4-yl)-6-methylisoquinoline
CID 169033827
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;2,8,10-trimethyl-4-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[h]quinazoline
CID 162693371
4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline
CID 162692996
trimethyl-[2,8,10-trimethyl-4-[7-(6-methyl-3-pyridinyl)dibenzofuran-4-yl]benzo[h]quinazolin-9-yl]germane
CID 162692592
7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methylphenyl)pyrene-1,3-diamine
CID 122578909
7-tert-butyl-1,3-dimethylpyrene
CID 10446723
4-(7-methyldibenzofuran-4-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
CID 162692866
4-[3-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]dibenzofuran
CID 58273508
8-(2,10-dimethylbenzo[h]quinazolin-4-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162692686
6-tert-butyl-1-(2,3,5-trimethyl-1-benzofuran-7-yl)isoquinoline
CID 167258293

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline?
The IUPAC name of 8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline (CID 162692667) is 8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline.
What is the SMILES notation for 8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline?
The canonical SMILES for 8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline is Cc1ccc2c(c1)oc1c(-c3nc(C)nc4c3ccc3cc(C(C)(C)C)cc(C)c34)cc(C)cc12.
What is the InChIKey of 8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline?
The InChIKey is ZMOIDJLCZIEASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O/c1-17-8-10-23-25-12-18(2)13-26(31(25)35-27(23)14-17)29-24-11-9-21-16-22(32(5,6)7)15-19(3)28(21)30(24)34-20(4)33-29/h8-16H,1-7H3.
What are the key properties of 8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline?
8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline has a molecular weight of 458.61 g/mol, XLogP of 8.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline is sourced from PubChem (CID 162692667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).