4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline

C44H44N2O — CID 177242586

IUPAC4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline
SMILESCC(C)(C)c1cc(-c2cccc(-c3nc(-c4ccccc4)c4ccccc4n3)c2)c2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C44H44N2O/c1-42(2,3)30-23-33(39-34(24-30)35-25-31(43(4,5)6)26-36(40(35)47-39)44(7,8)9)28-18-15-19-29(22-28)41-45-37-21-14-13-20-32(37)38(46-41)27-16-11-10-12-17-27/h10-26H,1-9H3
InChIKeyGDGQMQDWHBLVFG-UHFFFAOYSA-N
MW616.85 g/mol
LogP12.42
Rot. Bonds3

About 4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline

4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline (PubChem CID 177242586) has the molecular formula C44H44N2O and a molecular weight of 616.85 g/mol. Its IUPAC name is 4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline.

Molecular Properties

Compound Name4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline
PubChem CID177242586
Molecular FormulaC44H44N2O
Molecular Weight616.85 g/mol
Exact Mass616.35
IUPAC Name4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline
SMILESCC(C)(C)c1cc(-c2cccc(-c3nc(-c4ccccc4)c4ccccc4n3)c2)c2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C44H44N2O/c1-42(2,3)30-23-33(39-34(24-30)35-25-31(43(4,5)6)26-36(40(35)47-39)44(7,8)9)28-18-15-19-29(22-28)41-45-37-21-14-13-20-32(37)38(46-41)27-16-11-10-12-17-27/h10-26H,1-9H3
InChIKeyGDGQMQDWHBLVFG-UHFFFAOYSA-N
XLogP12.42
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.85
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 177242681
2-[3-[2,8-ditert-butyl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161396078
2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 177242641
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran
CID 176635328
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline
CID 155473823
5,7-ditert-butyl-3-phenyl-1-benzofuran-2-amine
CID 11393088
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline?
The IUPAC name of 4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline (CID 177242586) is 4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline.
What is the SMILES notation for 4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline?
The canonical SMILES for 4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline is CC(C)(C)c1cc(-c2cccc(-c3nc(-c4ccccc4)c4ccccc4n3)c2)c2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline?
The InChIKey is GDGQMQDWHBLVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N2O/c1-42(2,3)30-23-33(39-34(24-30)35-25-31(43(4,5)6)26-36(40(35)47-39)44(7,8)9)28-18-15-19-29(22-28)41-45-37-21-14-13-20-32(37)38(46-41)27-16-11-10-12-17-27/h10-26H,1-9H3.
What are the key properties of 4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline?
4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline has a molecular weight of 616.85 g/mol, XLogP of 12.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline is sourced from PubChem (CID 177242586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).