4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline

C33H26N2O — CID 121323540

IUPAC4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline
SMILESc1ccc(-c2ccc3c(oc4ccccc43)c2CC2Nc3ccccc3C(c3ccccc3)N2)cc1
InChIInChI=1S/C33H26N2O/c1-3-11-22(12-4-1)24-19-20-26-25-15-8-10-18-30(25)36-33(26)28(24)21-31-34-29-17-9-7-16-27(29)32(35-31)23-13-5-2-6-14-23/h1-20,31-32,34-35H,21H2
InChIKeyQYKIZPFINDMHOX-UHFFFAOYSA-N
MW466.58 g/mol
LogP7.93
Rot. Bonds4

About 4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline

4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline (PubChem CID 121323540) has the molecular formula C33H26N2O and a molecular weight of 466.58 g/mol. Its IUPAC name is 4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline.

Molecular Properties

Compound Name4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline
PubChem CID121323540
Molecular FormulaC33H26N2O
Molecular Weight466.58 g/mol
Exact Mass466.20
IUPAC Name4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline
SMILESc1ccc(-c2ccc3c(oc4ccccc43)c2CC2Nc3ccccc3C(c3ccccc3)N2)cc1
InChIInChI=1S/C33H26N2O/c1-3-11-22(12-4-1)24-19-20-26-25-15-8-10-18-30(25)36-33(26)28(24)21-31-34-29-17-9-7-16-27(29)32(35-31)23-13-5-2-6-14-23/h1-20,31-32,34-35H,21H2
InChIKeyQYKIZPFINDMHOX-UHFFFAOYSA-N
XLogP7.93
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 130230894
2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541694
4-(1-deuteriocyclohexyl)dibenzofuran
CID 157279405
19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene
CID 164940146
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 122415610
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899
2-dibenzofuran-3-yl-4-(8-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541826
4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran
CID 142356030
2-[2-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099184
2-dibenzofuran-4-yl-3-(4-phenylphenyl)-3H-indole
CID 166498767
2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane
CID 171597125

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline?
The IUPAC name of 4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline (CID 121323540) is 4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline.
What is the SMILES notation for 4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline?
The canonical SMILES for 4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline is c1ccc(-c2ccc3c(oc4ccccc43)c2CC2Nc3ccccc3C(c3ccccc3)N2)cc1.
What is the InChIKey of 4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline?
The InChIKey is QYKIZPFINDMHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2O/c1-3-11-22(12-4-1)24-19-20-26-25-15-8-10-18-30(25)36-33(26)28(24)21-31-34-29-17-9-7-16-27(29)32(35-31)23-13-5-2-6-14-23/h1-20,31-32,34-35H,21H2.
What are the key properties of 4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline?
4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline has a molecular weight of 466.58 g/mol, XLogP of 7.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline is sourced from PubChem (CID 121323540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).