3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine

C45H36N2 — CID 90068448

IUPAC3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine
SMILESCC1(C)C2=C(c3ccc(-c4ccccc4)cc31)C(C)(C)c1cc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)ccc12
InChIInChI=1S/C45H36N2/c1-44(2)37-27-33(29-13-7-5-8-14-29)22-24-35(37)40-41(44)36-25-23-34(28-38(36)45(40,3)4)30-18-20-31(21-19-30)42-43(32-15-9-6-10-16-32)47-26-12-11-17-39(47)46-42/h5-28H,1-4H3
InChIKeyMKEMDAZFOPDDAE-UHFFFAOYSA-N
MW604.80 g/mol
LogP11.50
Rot. Bonds4

About 3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine

3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 90068448) has the molecular formula C45H36N2 and a molecular weight of 604.80 g/mol. Its IUPAC name is 3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine
PubChem CID90068448
Molecular FormulaC45H36N2
Molecular Weight604.80 g/mol
Exact Mass604.29
IUPAC Name3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine
SMILESCC1(C)C2=C(c3ccc(-c4ccccc4)cc31)C(C)(C)c1cc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)ccc12
InChIInChI=1S/C45H36N2/c1-44(2)37-27-33(29-13-7-5-8-14-29)22-24-35(37)40-41(44)36-25-23-34(28-38(36)45(40,3)4)30-18-20-31(21-19-30)42-43(32-15-9-6-10-16-32)47-26-12-11-17-39(47)46-42/h5-28H,1-4H3
InChIKeyMKEMDAZFOPDDAE-UHFFFAOYSA-N
XLogP11.50
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.80
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine
CID 167376601
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
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline
CID 164781299
3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine
CID 168835892
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
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-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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine
CID 168835942
2-(4-iodophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 133055125
2-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 10779709
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)aniline
CID 71460237

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine (CID 90068448) is 3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine is CC1(C)C2=C(c3ccc(-c4ccccc4)cc31)C(C)(C)c1cc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)ccc12.
What is the InChIKey of 3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is MKEMDAZFOPDDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N2/c1-44(2)37-27-33(29-13-7-5-8-14-29)22-24-35(37)40-41(44)36-25-23-34(28-38(36)45(40,3)4)30-18-20-31(21-19-30)42-43(32-15-9-6-10-16-32)47-26-12-11-17-39(47)46-42/h5-28H,1-4H3.
What are the key properties of 3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine?
3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 604.80 g/mol, XLogP of 11.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 90068448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).