4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline

C49H32N4 — CID 164781233

IUPAC4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline
SMILESc1ccc(-c2cc(-c3cccc(-c4nc5ccccn5c4-c4ccccc4)c3)cc(-c3nc(-c4ccccc4)c4ccc5ccccc5c4n3)c2)cc1
InChIInChI=1S/C49H32N4/c1-4-15-33(16-5-1)39-30-40(37-22-14-23-38(29-37)46-48(36-20-8-3-9-21-36)53-28-13-12-25-44(53)50-46)32-41(31-39)49-51-45(35-18-6-2-7-19-35)43-27-26-34-17-10-11-24-42(34)47(43)52-49/h1-32H
InChIKeyXLQYEKLOZCXLFA-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.43
Rot. Bonds6

About 4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline

4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline (PubChem CID 164781233) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline.

Molecular Properties

Compound Name4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline
PubChem CID164781233
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline
SMILESc1ccc(-c2cc(-c3cccc(-c4nc5ccccn5c4-c4ccccc4)c3)cc(-c3nc(-c4ccccc4)c4ccc5ccccc5c4n3)c2)cc1
InChIInChI=1S/C49H32N4/c1-4-15-33(16-5-1)39-30-40(37-22-14-23-38(29-37)46-48(36-20-8-3-9-21-36)53-28-13-12-25-44(53)50-46)32-41(31-39)49-51-45(35-18-6-2-7-19-35)43-27-26-34-17-10-11-24-42(34)47(43)52-49/h1-32H
InChIKeyXLQYEKLOZCXLFA-UHFFFAOYSA-N
XLogP12.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-2-[3-[3-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 164781284
2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-naphthalen-1-ylphenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 164781104
2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline
CID 164781299
2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline;2-phenyl-3-[4-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline;2-phenyl-3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]quinoxaline
CID 164994147
7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine
CID 144856150
3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 168835790
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
2-(4-phenylphenyl)-3-[3-[4-phenyl-6-[3-[2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine
CID 164781069
3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 155307077
8-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392981
3-[4-[3,5-bis[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine
CID 131846664
2-naphthalen-1-yl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 164781194

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline?
The IUPAC name of 4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline (CID 164781233) is 4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline.
What is the SMILES notation for 4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline?
The canonical SMILES for 4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline is c1ccc(-c2cc(-c3cccc(-c4nc5ccccn5c4-c4ccccc4)c3)cc(-c3nc(-c4ccccc4)c4ccc5ccccc5c4n3)c2)cc1.
What is the InChIKey of 4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline?
The InChIKey is XLQYEKLOZCXLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-4-15-33(16-5-1)39-30-40(37-22-14-23-38(29-37)46-48(36-20-8-3-9-21-36)53-28-13-12-25-44(53)50-46)32-41(31-39)49-51-45(35-18-6-2-7-19-35)43-27-26-34-17-10-11-24-42(34)47(43)52-49/h1-32H.
What are the key properties of 4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline?
4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline has a molecular weight of 676.82 g/mol, XLogP of 12.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline is sourced from PubChem (CID 164781233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).