2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline

C42H27N5O — CID 138670998

IUPAC2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline
SMILESCc1cc(-c2nc(-c3ccccc3)c3ccccc3n2)c2c(c1)oc1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12
InChIInChI=1S/C42H27N5O/c1-26-23-33(42-43-34-20-12-11-19-31(34)38(44-42)27-13-5-2-6-14-27)37-32-25-30(21-22-35(32)48-36(37)24-26)41-46-39(28-15-7-3-8-16-28)45-40(47-41)29-17-9-4-10-18-29/h2-25H,1H3
InChIKeyARRVVZOAHLWRPF-UHFFFAOYSA-N
MW617.71 g/mol
LogP10.36
Rot. Bonds5

About 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline

2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline (PubChem CID 138670998) has the molecular formula C42H27N5O and a molecular weight of 617.71 g/mol. Its IUPAC name is 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline
PubChem CID138670998
Molecular FormulaC42H27N5O
Molecular Weight617.71 g/mol
Exact Mass617.22
IUPAC Name2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline
SMILESCc1cc(-c2nc(-c3ccccc3)c3ccccc3n2)c2c(c1)oc1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12
InChIInChI=1S/C42H27N5O/c1-26-23-33(42-43-34-20-12-11-19-31(34)38(44-42)27-13-5-2-6-14-27)37-32-25-30(21-22-35(32)48-36(37)24-26)41-46-39(28-15-7-3-8-16-28)45-40(47-41)29-17-9-4-10-18-29/h2-25H,1H3
InChIKeyARRVVZOAHLWRPF-UHFFFAOYSA-N
XLogP10.36
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.71
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline with MolForge

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Related Compounds

2-[8-(4-methylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 134199083
2-[3-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-4-phenylquinazoline
CID 134299709
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline
CID 155473673
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene
CID 155771599
7-(4-dibenzofuran-1-ylphenyl)-2,4-diphenylquinazoline
CID 146353553
14-phenyl-2-[4-(2-phenylquinazolin-4-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246719
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952974

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline?
The IUPAC name of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline (CID 138670998) is 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline.
What is the SMILES notation for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline?
The canonical SMILES for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline is Cc1cc(-c2nc(-c3ccccc3)c3ccccc3n2)c2c(c1)oc1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12.
What is the InChIKey of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline?
The InChIKey is ARRVVZOAHLWRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5O/c1-26-23-33(42-43-34-20-12-11-19-31(34)38(44-42)27-13-5-2-6-14-27)37-32-25-30(21-22-35(32)48-36(37)24-26)41-46-39(28-15-7-3-8-16-28)45-40(47-41)29-17-9-4-10-18-29/h2-25H,1H3.
What are the key properties of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline?
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline has a molecular weight of 617.71 g/mol, XLogP of 10.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline is sourced from PubChem (CID 138670998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).