4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline

C52H32N4 — CID 177296985

IUPAC4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline
SMILESc1ccc(-c2nc3ccccn3c2-c2ccc(-c3nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc4ccccc34)cc2)cc1
InChIInChI=1S/C52H32N4/c1-2-14-33(15-3-1)49-50(56-31-13-12-24-47(56)54-49)35-27-25-34(26-28-35)48-41-19-7-11-23-46(41)53-51(55-48)36-29-30-40-39-18-6-10-22-44(39)52(45(40)32-36)42-20-8-4-16-37(42)38-17-5-9-21-43(38)52/h1-32H
InChIKeyWIUVRTRWNWBDQL-UHFFFAOYSA-N
MW712.86 g/mol
LogP12.29
Rot. Bonds4

About 4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline

4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline (PubChem CID 177296985) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline.

Molecular Properties

Compound Name4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline
PubChem CID177296985
Molecular FormulaC52H32N4
Molecular Weight712.86 g/mol
Exact Mass712.26
IUPAC Name4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline
SMILESc1ccc(-c2nc3ccccn3c2-c2ccc(-c3nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc4ccccc34)cc2)cc1
InChIInChI=1S/C52H32N4/c1-2-14-33(15-3-1)49-50(56-31-13-12-24-47(56)54-49)35-27-25-34(26-28-35)48-41-19-7-11-23-46(41)53-51(55-48)36-29-30-40-39-18-6-10-22-44(39)52(45(40)32-36)42-20-8-4-16-37(42)38-17-5-9-21-43(38)52/h1-32H
InChIKeyWIUVRTRWNWBDQL-UHFFFAOYSA-N
XLogP12.29
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.86
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 177296967
2-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 177296992
3-[4-[4-naphthalen-1-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 177296980
3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 168835954
3-phenyl-2-[3-[6-phenyl-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine
CID 177296995
2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine
CID 177297031
7'-isocyano-2-[2-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]quinazolin-4-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 177297047
4-(4-phenylphenyl)-2-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylquinazoline
CID 153357768
2-[2-[4-dibenzofuran-3-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 177297074
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine
CID 168835942
2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
CID 167177421
4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline
CID 139306466

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline?
The IUPAC name of 4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline (CID 177296985) is 4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline.
What is the SMILES notation for 4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline?
The canonical SMILES for 4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline is c1ccc(-c2nc3ccccn3c2-c2ccc(-c3nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc4ccccc34)cc2)cc1.
What is the InChIKey of 4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline?
The InChIKey is WIUVRTRWNWBDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-2-14-33(15-3-1)49-50(56-31-13-12-24-47(56)54-49)35-27-25-34(26-28-35)48-41-19-7-11-23-46(41)53-51(55-48)36-29-30-40-39-18-6-10-22-44(39)52(45(40)32-36)42-20-8-4-16-37(42)38-17-5-9-21-43(38)52/h1-32H.
What are the key properties of 4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline?
4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline has a molecular weight of 712.86 g/mol, XLogP of 12.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline is sourced from PubChem (CID 177296985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).