4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline

C52H34N4 — CID 167202663

IUPAC4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4ccccc4-c4ccccc4-c4cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c4)c3)nc3ccccc23)cc1
InChIInChI=1S/C52H34N4/c1-3-17-35(18-4-1)49-45-29-11-13-31-47(45)53-51(55-49)39-23-15-21-37(33-39)41-25-7-9-27-43(41)44-28-10-8-26-42(44)38-22-16-24-40(34-38)52-54-48-32-14-12-30-46(48)50(56-52)36-19-5-2-6-20-36/h1-34H
InChIKeyPTDCFZMBNKBWLR-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.24
Rot. Bonds7

About 4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline

4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline (PubChem CID 167202663) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline.

Molecular Properties

Compound Name4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
PubChem CID167202663
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4ccccc4-c4ccccc4-c4cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c4)c3)nc3ccccc23)cc1
InChIInChI=1S/C52H34N4/c1-3-17-35(18-4-1)49-45-29-11-13-31-47(45)53-51(55-49)39-23-15-21-37(33-39)41-25-7-9-27-43(41)44-28-10-8-26-42(44)38-22-16-24-40(34-38)52-54-48-32-14-12-30-46(48)50(56-52)36-19-5-2-6-20-36/h1-34H
InChIKeyPTDCFZMBNKBWLR-UHFFFAOYSA-N
XLogP13.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline with MolForge

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Related Compounds

4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile
CID 169297005
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
CID 170214886
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
2-(3-chlorophenyl)-4-naphthalen-1-ylquinazoline
CID 139365483
5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140747379
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline?
The IUPAC name of 4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline (CID 167202663) is 4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline.
What is the SMILES notation for 4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline?
The canonical SMILES for 4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline is c1ccc(-c2nc(-c3cccc(-c4ccccc4-c4ccccc4-c4cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c4)c3)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline?
The InChIKey is PTDCFZMBNKBWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-3-17-35(18-4-1)49-45-29-11-13-31-47(45)53-51(55-49)39-23-15-21-37(33-39)41-25-7-9-27-43(41)44-28-10-8-26-42(44)38-22-16-24-40(34-38)52-54-48-32-14-12-30-46(48)50(56-52)36-19-5-2-6-20-36/h1-34H.
What are the key properties of 4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline?
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline has a molecular weight of 714.87 g/mol, XLogP of 13.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline is sourced from PubChem (CID 167202663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).