4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline

C51H34N2O — CID 166914768

IUPAC4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5O6)cc4)c3)c3ccccc3n2)cc1
InChIInChI=1S/C51H34N2O/c1-4-15-37(16-5-1)50-52-46-25-12-10-23-43(46)49(53-50)40-18-14-17-38(33-40)35-27-29-36(30-28-35)39-31-32-48-45(34-39)51(41-19-6-2-7-20-41,42-21-8-3-9-22-42)44-24-11-13-26-47(44)54-48/h1-34H
InChIKeyYCZSMKVGIMUKAH-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.79
Rot. Bonds6

About 4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline

4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline (PubChem CID 166914768) has the molecular formula C51H34N2O and a molecular weight of 690.85 g/mol. Its IUPAC name is 4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline
PubChem CID166914768
Molecular FormulaC51H34N2O
Molecular Weight690.85 g/mol
Exact Mass690.27
IUPAC Name4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5O6)cc4)c3)c3ccccc3n2)cc1
InChIInChI=1S/C51H34N2O/c1-4-15-37(16-5-1)50-52-46-25-12-10-23-43(46)49(53-50)40-18-14-17-38(33-40)35-27-29-36(30-28-35)39-31-32-48-45(34-39)51(41-19-6-2-7-20-41,42-21-8-3-9-22-42)44-24-11-13-26-47(44)54-48/h1-34H
InChIKeyYCZSMKVGIMUKAH-UHFFFAOYSA-N
XLogP12.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline
CID 166914454
4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
CID 130375125
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline
CID 130375121
2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline
CID 166908596
2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline
CID 146388381
4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146388734
4-(10,10-diphenyl-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)-2-phenylquinazoline
CID 138573827
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
CID 146184411
CID 146184411
4-[4-[4-(9,9-diphenylxanthen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 163439529

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline?
The IUPAC name of 4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline (CID 166914768) is 4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline.
What is the SMILES notation for 4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline?
The canonical SMILES for 4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline is c1ccc(-c2nc(-c3cccc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5O6)cc4)c3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline?
The InChIKey is YCZSMKVGIMUKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O/c1-4-15-37(16-5-1)50-52-46-25-12-10-23-43(46)49(53-50)40-18-14-17-38(33-40)35-27-29-36(30-28-35)39-31-32-48-45(34-39)51(41-19-6-2-7-20-41,42-21-8-3-9-22-42)44-24-11-13-26-47(44)54-48/h1-34H.
What are the key properties of 4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline?
4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline has a molecular weight of 690.85 g/mol, XLogP of 12.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline is sourced from PubChem (CID 166914768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).