4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline

C35H26N2O — CID 166908672

IUPAC4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc(-c4nc(-c5ccccc5)nc5ccccc45)cc3)cccc21
InChIInChI=1S/C35H26N2O/c1-35(2)28-15-7-9-18-31(28)38-33-26(14-10-16-29(33)35)23-19-21-24(22-20-23)32-27-13-6-8-17-30(27)36-34(37-32)25-11-4-3-5-12-25/h3-22H,1-2H3
InChIKeyDMZCAPOEGFRJJW-UHFFFAOYSA-N
MW490.61 g/mol
LogP9.06
Rot. Bonds3

About 4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline

4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline (PubChem CID 166908672) has the molecular formula C35H26N2O and a molecular weight of 490.61 g/mol. Its IUPAC name is 4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline
PubChem CID166908672
Molecular FormulaC35H26N2O
Molecular Weight490.61 g/mol
Exact Mass490.20
IUPAC Name4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc(-c4nc(-c5ccccc5)nc5ccccc45)cc3)cccc21
InChIInChI=1S/C35H26N2O/c1-35(2)28-15-7-9-18-31(28)38-33-26(14-10-16-29(33)35)23-19-21-24(22-20-23)32-27-13-6-8-17-30(27)36-34(37-32)25-11-4-3-5-12-25/h3-22H,1-2H3
InChIKeyDMZCAPOEGFRJJW-UHFFFAOYSA-N
XLogP9.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline
CID 166908596
6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855212
2-[3-(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-17-yl)phenyl]-4-phenylquinazoline
CID 138574124
2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-fluoranthen-3-ylquinazoline
CID 163568629
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820
2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline
CID 166996088
2-(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)-4-phenylquinazoline
CID 138574402
3-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyridazine;2-phenyl-4-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]quinazoline;4-phenyl-2-[4-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]quinazoline
CID 159042382
3-naphthalen-1-yl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;4-naphthalen-1-yl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline
CID 161034640
4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline?
The IUPAC name of 4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline (CID 166908672) is 4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline.
What is the SMILES notation for 4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline?
The canonical SMILES for 4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline is CC1(C)c2ccccc2Oc2c(-c3ccc(-c4nc(-c5ccccc5)nc5ccccc45)cc3)cccc21.
What is the InChIKey of 4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline?
The InChIKey is DMZCAPOEGFRJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2O/c1-35(2)28-15-7-9-18-31(28)38-33-26(14-10-16-29(33)35)23-19-21-24(22-20-23)32-27-13-6-8-17-30(27)36-34(37-32)25-11-4-3-5-12-25/h3-22H,1-2H3.
What are the key properties of 4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline?
4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline has a molecular weight of 490.61 g/mol, XLogP of 9.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline is sourced from PubChem (CID 166908672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).