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

C35H26N2O — CID 166908596

IUPAC2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)cc21
InChIInChI=1S/C35H26N2O/c1-35(2)28-13-7-9-15-31(28)38-32-21-20-26(22-29(32)35)23-16-18-25(19-17-23)34-36-30-14-8-6-12-27(30)33(37-34)24-10-4-3-5-11-24/h3-22H,1-2H3
InChIKeyFGPKNSCOJUOFEM-UHFFFAOYSA-N
MW490.61 g/mol
LogP9.06
Rot. Bonds3

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

2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline (PubChem CID 166908596) has the molecular formula C35H26N2O and a molecular weight of 490.61 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline
PubChem CID166908596
Molecular FormulaC35H26N2O
Molecular Weight490.61 g/mol
Exact Mass490.20
IUPAC Name2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)cc21
InChIInChI=1S/C35H26N2O/c1-35(2)28-13-7-9-15-31(28)38-32-21-20-26(22-29(32)35)23-16-18-25(19-17-23)34-36-30-14-8-6-12-27(30)33(37-34)24-10-4-3-5-11-24/h3-22H,1-2H3
InChIKeyFGPKNSCOJUOFEM-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-fluoranthen-3-ylquinazoline
CID 163568629
2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline
CID 166996088
4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline
CID 166908672
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline
CID 166914768
4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline
CID 166914454
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
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
4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
9,9-dimethyl-1-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]xanthene-2-carbonitrile
CID 163621824
CID 146184411
CID 146184411
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline?
The IUPAC name of 2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline (CID 166908596) is 2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline.
What is the SMILES notation for 2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline?
The canonical SMILES for 2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline is CC1(C)c2ccccc2Oc2ccc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)cc21.
What is the InChIKey of 2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline?
The InChIKey is FGPKNSCOJUOFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2O/c1-35(2)28-13-7-9-15-31(28)38-32-21-20-26(22-29(32)35)23-16-18-25(19-17-23)34-36-30-14-8-6-12-27(30)33(37-34)24-10-4-3-5-11-24/h3-22H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline?
2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-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 2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline is sourced from PubChem (CID 166908596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).