2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline

C52H32N4S — CID 155328667

IUPAC2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5sc6c(-c7ccc(-c8nc(-c9ccccc9)nc9ccccc89)cc7)cccc6c5c4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C52H32N4S/c1-3-12-37(13-4-1)51-53-45-20-9-7-16-42(45)48(55-51)35-26-22-33(23-27-35)39-30-31-47-44(32-39)41-19-11-18-40(50(41)57-47)34-24-28-36(29-25-34)49-43-17-8-10-21-46(43)54-52(56-49)38-14-5-2-6-15-38/h1-32H
InChIKeyVUBMMERQTWIEBG-UHFFFAOYSA-N
MW744.92 g/mol
LogP13.94
Rot. Bonds6

About 2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline

2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline (PubChem CID 155328667) has the molecular formula C52H32N4S and a molecular weight of 744.92 g/mol. Its IUPAC name is 2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline.

Molecular Properties

Compound Name2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline
PubChem CID155328667
Molecular FormulaC52H32N4S
Molecular Weight744.92 g/mol
Exact Mass744.23
IUPAC Name2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5sc6c(-c7ccc(-c8nc(-c9ccccc9)nc9ccccc89)cc7)cccc6c5c4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C52H32N4S/c1-3-12-37(13-4-1)51-53-45-20-9-7-16-42(45)48(55-51)35-26-22-33(23-27-35)39-30-31-47-44(32-39)41-19-11-18-40(50(41)57-47)34-24-28-36(29-25-34)49-43-17-8-10-21-46(43)54-52(56-49)38-14-5-2-6-15-38/h1-32H
InChIKeyVUBMMERQTWIEBG-UHFFFAOYSA-N
XLogP13.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.92
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163817234
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 155329887
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618
2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
6-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;5-(4-dibenzothiophen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 164997910
2-dibenzothiophen-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850235
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
3-[4-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549899
4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline
CID 155328859
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-phenylquinazoline
CID 149314451

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline?
The IUPAC name of 2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline (CID 155328667) is 2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline.
What is the SMILES notation for 2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline?
The canonical SMILES for 2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline is c1ccc(-c2nc(-c3ccc(-c4ccc5sc6c(-c7ccc(-c8nc(-c9ccccc9)nc9ccccc89)cc7)cccc6c5c4)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline?
The InChIKey is VUBMMERQTWIEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4S/c1-3-12-37(13-4-1)51-53-45-20-9-7-16-42(45)48(55-51)35-26-22-33(23-27-35)39-30-31-47-44(32-39)41-19-11-18-40(50(41)57-47)34-24-28-36(29-25-34)49-43-17-8-10-21-46(43)54-52(56-49)38-14-5-2-6-15-38/h1-32H.
What are the key properties of 2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline?
2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline has a molecular weight of 744.92 g/mol, XLogP of 13.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline is sourced from PubChem (CID 155328667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).