2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline

C41H27N5O — CID 163504946

IUPAC2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
SMILESC1=Cc2oc3ccc(-c4nc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc5n4)cc3c2CC1
InChIInChI=1S/C41H27N5O/c1-3-11-27(12-4-1)38-44-39(28-13-5-2-6-14-28)46-40(45-38)29-21-19-26(20-22-29)37-32-16-7-9-17-34(32)42-41(43-37)30-23-24-36-33(25-30)31-15-8-10-18-35(31)47-36/h1-7,9-14,16-25H,8,15H2
InChIKeyCXUMNKOXQXWHLK-UHFFFAOYSA-N
MW605.70 g/mol
LogP9.86
Rot. Bonds5

About 2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline

2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline (PubChem CID 163504946) has the molecular formula C41H27N5O and a molecular weight of 605.70 g/mol. Its IUPAC name is 2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline.

Molecular Properties

Compound Name2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
PubChem CID163504946
Molecular FormulaC41H27N5O
Molecular Weight605.70 g/mol
Exact Mass605.22
IUPAC Name2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
SMILESC1=Cc2oc3ccc(-c4nc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc5n4)cc3c2CC1
InChIInChI=1S/C41H27N5O/c1-3-11-27(12-4-1)38-44-39(28-13-5-2-6-14-28)46-40(45-38)29-21-19-26(20-22-29)37-32-16-7-9-17-34(32)42-41(43-37)30-23-24-36-33(25-30)31-15-8-10-18-35(31)47-36/h1-7,9-14,16-25H,8,15H2
InChIKeyCXUMNKOXQXWHLK-UHFFFAOYSA-N
XLogP9.86
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.70
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 153130331
2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline
CID 155473673
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline
CID 138670998
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 174310954
3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine
CID 168745917
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-[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
6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 170116532
2-[8-[4-(8,9-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 157146965
4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
CID 155326645
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143

Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline?
The IUPAC name of 2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline (CID 163504946) is 2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline.
What is the SMILES notation for 2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline?
The canonical SMILES for 2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline is C1=Cc2oc3ccc(-c4nc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc5n4)cc3c2CC1.
What is the InChIKey of 2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline?
The InChIKey is CXUMNKOXQXWHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N5O/c1-3-11-27(12-4-1)38-44-39(28-13-5-2-6-14-28)46-40(45-38)29-21-19-26(20-22-29)37-32-16-7-9-17-34(32)42-41(43-37)30-23-24-36-33(25-30)31-15-8-10-18-35(31)47-36/h1-7,9-14,16-25H,8,15H2.
What are the key properties of 2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline?
2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline has a molecular weight of 605.70 g/mol, XLogP of 9.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline is sourced from PubChem (CID 163504946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).