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

C53H34N2O — CID 166914454

IUPAC4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C(c4ccc6ccccc6c4)(c4ccc6ccccc6c4)c4ccccc4O5)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C53H34N2O/c1-2-14-39(15-3-1)52-54-48-20-10-8-18-45(48)51(55-52)38-24-22-37(23-25-38)42-28-31-50-47(34-42)53(46-19-9-11-21-49(46)56-50,43-29-26-35-12-4-6-16-40(35)32-43)44-30-27-36-13-5-7-17-41(36)33-44/h1-34H
InChIKeyWBHOIZOOTASIER-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.43
Rot. Bonds5

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

4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline (PubChem CID 166914454) has the molecular formula C53H34N2O and a molecular weight of 714.87 g/mol. Its IUPAC name is 4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline
PubChem CID166914454
Molecular FormulaC53H34N2O
Molecular Weight714.87 g/mol
Exact Mass714.27
IUPAC Name4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C(c4ccc6ccccc6c4)(c4ccc6ccccc6c4)c4ccccc4O5)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C53H34N2O/c1-2-14-39(15-3-1)52-54-48-20-10-8-18-45(48)51(55-52)38-24-22-37(23-25-38)42-28-31-50-47(34-42)53(46-19-9-11-21-49(46)56-50,43-29-26-35-12-4-6-16-40(35)32-43)44-30-27-36-13-5-7-17-41(36)33-44/h1-34H
InChIKeyWBHOIZOOTASIER-UHFFFAOYSA-N
XLogP13.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline
CID 166914768
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
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
CID 146184411
CID 146184411
2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline
CID 166996088
4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline
CID 144856654
6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 147892572
7-[6'-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline
CID 155304735
2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline
CID 166914461
2-naphthalen-2-yl-4-[2-[3-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 137391672

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline?
The IUPAC name of 4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline (CID 166914454) is 4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline.
What is the SMILES notation for 4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline?
The canonical SMILES for 4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C(c4ccc6ccccc6c4)(c4ccc6ccccc6c4)c4ccccc4O5)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline?
The InChIKey is WBHOIZOOTASIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O/c1-2-14-39(15-3-1)52-54-48-20-10-8-18-45(48)51(55-52)38-24-22-37(23-25-38)42-28-31-50-47(34-42)53(46-19-9-11-21-49(46)56-50,43-29-26-35-12-4-6-16-40(35)32-43)44-30-27-36-13-5-7-17-41(36)33-44/h1-34H.
What are the key properties of 4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline?
4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline has a molecular weight of 714.87 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline is sourced from PubChem (CID 166914454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).