2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline

C41H32N2O — CID 166908714

IUPAC2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline
SMILESCC1(C)c2ccccc2Oc2cc(-c3cccc(-c4ccc(C5=NC(c6ccccc6)c6ccccc6N5)cc4)c3)ccc21
InChIInChI=1S/C41H32N2O/c1-41(2)34-16-7-9-18-37(34)44-38-26-32(23-24-35(38)41)31-14-10-13-30(25-31)27-19-21-29(22-20-27)40-42-36-17-8-6-15-33(36)39(43-40)28-11-4-3-5-12-28/h3-26,39H,1-2H3,(H,42,43)
InChIKeyBHMLRAGFAXTECZ-UHFFFAOYSA-N
MW568.72 g/mol
LogP10.41
Rot. Bonds4

About 2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline

2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline (PubChem CID 166908714) has the molecular formula C41H32N2O and a molecular weight of 568.72 g/mol. Its IUPAC name is 2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline.

Molecular Properties

Compound Name2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline
PubChem CID166908714
Molecular FormulaC41H32N2O
Molecular Weight568.72 g/mol
Exact Mass568.25
IUPAC Name2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline
SMILESCC1(C)c2ccccc2Oc2cc(-c3cccc(-c4ccc(C5=NC(c6ccccc6)c6ccccc6N5)cc4)c3)ccc21
InChIInChI=1S/C41H32N2O/c1-41(2)34-16-7-9-18-37(34)44-38-26-32(23-24-35(38)41)31-14-10-13-30(25-31)27-19-21-29(22-20-27)40-42-36-17-8-6-15-33(36)39(43-40)28-11-4-3-5-12-28/h3-26,39H,1-2H3,(H,42,43)
InChIKeyBHMLRAGFAXTECZ-UHFFFAOYSA-N
XLogP10.41
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 510.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline with MolForge

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Related Compounds

4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline
CID 163627253
3-(3-bromo-5-phenylphenyl)-9,9-dimethylxanthene
CID 166679254
5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880673
2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 137389231
2-[3-(9,9-dimethylxanthen-3-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 166908479
4-phenyl-6-(2-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 148834800
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118134290
3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene
CID 177298575
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene
CID 177297955
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene
CID 70935966

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline?
The IUPAC name of 2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline (CID 166908714) is 2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline.
What is the SMILES notation for 2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline?
The canonical SMILES for 2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline is CC1(C)c2ccccc2Oc2cc(-c3cccc(-c4ccc(C5=NC(c6ccccc6)c6ccccc6N5)cc4)c3)ccc21.
What is the InChIKey of 2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline?
The InChIKey is BHMLRAGFAXTECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2O/c1-41(2)34-16-7-9-18-37(34)44-38-26-32(23-24-35(38)41)31-14-10-13-30(25-31)27-19-21-29(22-20-27)40-42-36-17-8-6-15-33(36)39(43-40)28-11-4-3-5-12-28/h3-26,39H,1-2H3,(H,42,43).
What are the key properties of 2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline?
2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline has a molecular weight of 568.72 g/mol, XLogP of 10.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline is sourced from PubChem (CID 166908714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).