3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole

C55H35N5 — CID 121260661

IUPAC3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2c(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc3ccccn23)cc1
InChIInChI=1S/C55H35N5/c1-2-14-37(15-3-1)55-54(56-53-24-12-13-33-57(53)55)36-25-27-38(28-26-36)58-51-31-29-39(59-47-20-8-4-16-41(47)42-17-5-9-21-48(42)59)34-45(51)46-35-40(30-32-52(46)58)60-49-22-10-6-18-43(49)44-19-7-11-23-50(44)60/h1-35H
InChIKeyQPGKGYXPSOGLBG-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.96
Rot. Bonds5

About 3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole

3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole (PubChem CID 121260661) has the molecular formula C55H35N5 and a molecular weight of 765.92 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
PubChem CID121260661
Molecular FormulaC55H35N5
Molecular Weight765.92 g/mol
Exact Mass765.29
IUPAC Name3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2c(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc3ccccn23)cc1
InChIInChI=1S/C55H35N5/c1-2-14-37(15-3-1)55-54(56-53-24-12-13-33-57(53)55)36-25-27-38(28-26-36)58-51-31-29-39(59-47-20-8-4-16-41(47)42-17-5-9-21-48(42)59)34-45(51)46-35-40(30-32-52(46)58)60-49-22-10-6-18-43(49)44-19-7-11-23-50(44)60/h1-35H
InChIKeyQPGKGYXPSOGLBG-UHFFFAOYSA-N
XLogP13.96
TPSA32.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[9-(2,3-diphenylimidazo[1,2-a]pyridin-7-yl)carbazol-3-yl]-9-phenylcarbazole
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3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
2-phenyl-1-[4-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]benzimidazole
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CID 168835869
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361
12-[4-(2,3-diphenylimidazo[1,2-a]pyridin-7-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160666176
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
1-phenyl-2-[4-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 155306860
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole (CID 121260661) is 3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole is c1ccc(-c2c(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc3ccccn23)cc1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole?
The InChIKey is QPGKGYXPSOGLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5/c1-2-14-37(15-3-1)55-54(56-53-24-12-13-33-57(53)55)36-25-27-38(28-26-36)58-51-31-29-39(59-47-20-8-4-16-41(47)42-17-5-9-21-48(42)59)34-45(51)46-35-40(30-32-52(46)58)60-49-22-10-6-18-43(49)44-19-7-11-23-50(44)60/h1-35H.
What are the key properties of 3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole?
3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole has a molecular weight of 765.92 g/mol, XLogP of 13.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole is sourced from PubChem (CID 121260661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).