4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline

C34H27N3O — CID 166908782

IUPAC4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline
SMILESCC1(C)c2ccccc2Oc2c(C3=C4C=CC=CC4N=C(c4cccc(-c5ccccn5)c4)N3)cccc21
InChIInChI=1S/C34H27N3O/c1-34(2)26-15-4-6-19-30(26)38-32-25(14-10-16-27(32)34)31-24-13-3-5-18-29(24)36-33(37-31)23-12-9-11-22(21-23)28-17-7-8-20-35-28/h3-21,29H,1-2H3,(H,36,37)
InChIKeyBUDNUOABXQVXGO-UHFFFAOYSA-N
MW493.61 g/mol
LogP7.44
Rot. Bonds3

About 4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline

4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline (PubChem CID 166908782) has the molecular formula C34H27N3O and a molecular weight of 493.61 g/mol. Its IUPAC name is 4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline.

Molecular Properties

Compound Name4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline
PubChem CID166908782
Molecular FormulaC34H27N3O
Molecular Weight493.61 g/mol
Exact Mass493.22
IUPAC Name4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline
SMILESCC1(C)c2ccccc2Oc2c(C3=C4C=CC=CC4N=C(c4cccc(-c5ccccn5)c4)N3)cccc21
InChIInChI=1S/C34H27N3O/c1-34(2)26-15-4-6-19-30(26)38-32-25(14-10-16-27(32)34)31-24-13-3-5-18-29(24)36-33(37-31)23-12-9-11-22(21-23)28-17-7-8-20-35-28/h3-21,29H,1-2H3,(H,36,37)
InChIKeyBUDNUOABXQVXGO-UHFFFAOYSA-N
XLogP7.44
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline 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

4-(9,9-diphenylxanthen-4-yl)-2-phenyl-3,8a-dihydroquinazoline
CID 166914693
4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 166995811
4-[4-(9,9-diphenylxanthen-1-yl)phenyl]-2-phenyl-3,8a-dihydroquinazoline
CID 166914510
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
4-phenyl-6-pyridin-2-yl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 130379889
2-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138573640
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 130379549
2-phenyl-4-spiro[fluorene-9,9'-thioxanthene]-4-yl-3,8a-dihydroquinazoline
CID 146355682
bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158922186
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
CID 130378906
2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138575917

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline?
The IUPAC name of 4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline (CID 166908782) is 4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline.
What is the SMILES notation for 4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline?
The canonical SMILES for 4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline is CC1(C)c2ccccc2Oc2c(C3=C4C=CC=CC4N=C(c4cccc(-c5ccccn5)c4)N3)cccc21.
What is the InChIKey of 4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline?
The InChIKey is BUDNUOABXQVXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3O/c1-34(2)26-15-4-6-19-30(26)38-32-25(14-10-16-27(32)34)31-24-13-3-5-18-29(24)36-33(37-31)23-12-9-11-22(21-23)28-17-7-8-20-35-28/h3-21,29H,1-2H3,(H,36,37).
What are the key properties of 4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline?
4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline has a molecular weight of 493.61 g/mol, XLogP of 7.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylxanthen-4-yl)-2-(3-pyridin-2-ylphenyl)-3,8a-dihydroquinazoline is sourced from PubChem (CID 166908782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).