methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole

C56H40N4 — CID 159626577

IUPACmethane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
SMILESC.c1ccc(-c2c(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)nc3ccccn23)cc1
InChIInChI=1S/C55H36N4.CH4/c1-4-14-39(15-5-1)55-54(56-53-22-12-13-33-57(53)55)38-25-23-37(24-26-38)40-27-30-51-47(34-40)48-36-42(29-32-52(48)59(51)44-18-8-3-9-19-44)41-28-31-50-46(35-41)45-20-10-11-21-49(45)58(50)43-16-6-2-7-17-43;/h1-36H;1H4
InChIKeyMOONRTGQMHNLAA-UHFFFAOYSA-N
MW768.96 g/mol
LogP14.83
Rot. Bonds6

About methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole

methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole (PubChem CID 159626577) has the molecular formula C56H40N4 and a molecular weight of 768.96 g/mol. Its IUPAC name is methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Namemethane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
PubChem CID159626577
Molecular FormulaC56H40N4
Molecular Weight768.96 g/mol
Exact Mass768.33
IUPAC Namemethane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
SMILESC.c1ccc(-c2c(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)nc3ccccn23)cc1
InChIInChI=1S/C55H36N4.CH4/c1-4-14-39(15-5-1)55-54(56-53-22-12-13-33-57(53)55)38-25-23-37(24-26-38)40-27-30-51-47(34-40)48-36-42(29-32-52(48)59(51)44-18-8-3-9-19-44)41-28-31-50-46(35-41)45-20-10-11-21-49(45)58(50)43-16-6-2-7-17-43;/h1-36H;1H4
InChIKeyMOONRTGQMHNLAA-UHFFFAOYSA-N
XLogP14.83
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
CID 121260661
3-[9-(2,3-diphenylimidazo[1,2-a]pyridin-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 159206818
9-phenyl-N-[4-[4-[N-(9-phenylcarbazol-3-yl)-3-(3-phenylimidazo[1,2-a]pyridin-2-yl)anilino]phenyl]phenyl]-N-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazol-3-amine
CID 167376746
1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole
CID 168835869
12-[4-(2,3-diphenylimidazo[1,2-a]pyridin-7-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160666176
1-phenyl-2-[4-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 155306860
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
20-phenyl-16-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),5,7,9,12,14(19),15,17-nonaene
CID 160951061
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
2-phenyl-1-[4-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]benzimidazole
CID 155306933
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032
2-phenyl-1-[3-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 164781227

Frequently Asked Questions

What is the IUPAC name of methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole?
The IUPAC name of methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole (CID 159626577) is methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole.
What is the SMILES notation for methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole?
The canonical SMILES for methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole is C.c1ccc(-c2c(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)nc3ccccn23)cc1.
What is the InChIKey of methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole?
The InChIKey is MOONRTGQMHNLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4.CH4/c1-4-14-39(15-5-1)55-54(56-53-22-12-13-33-57(53)55)38-25-23-37(24-26-38)40-27-30-51-47(34-40)48-36-42(29-32-52(48)59(51)44-18-8-3-9-19-44)41-28-31-50-46(35-41)45-20-10-11-21-49(45)58(50)43-16-6-2-7-17-43;/h1-36H;1H4.
What are the key properties of methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole?
methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole has a molecular weight of 768.96 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole is sourced from PubChem (CID 159626577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).