1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one

C50H32N6O — CID 121248120

IUPAC1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
SMILESO=C1c2c(N3c4ccccc4N(c4ccccc4)c4ccccc43)ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)c2-c2nc3ccccc3n21
InChIInChI=1S/C50H32N6O/c57-50-48-46(55-43-29-15-11-25-39(43)53(34-19-5-2-6-20-34)40-26-12-16-30-44(40)55)32-31-45(47(48)49-51-35-21-7-8-22-36(35)56(49)50)54-41-27-13-9-23-37(41)52(33-17-3-1-4-18-33)38-24-10-14-28-42(38)54/h1-32H
InChIKeyGQQUGOFRANANLH-UHFFFAOYSA-N
MW732.85 g/mol
LogP13.21
Rot. Bonds4

About 1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one

1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one (PubChem CID 121248120) has the molecular formula C50H32N6O and a molecular weight of 732.85 g/mol. Its IUPAC name is 1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one.

Molecular Properties

Compound Name1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
PubChem CID121248120
Molecular FormulaC50H32N6O
Molecular Weight732.85 g/mol
Exact Mass732.26
IUPAC Name1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
SMILESO=C1c2c(N3c4ccccc4N(c4ccccc4)c4ccccc43)ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)c2-c2nc3ccccc3n21
InChIInChI=1S/C50H32N6O/c57-50-48-46(55-43-29-15-11-25-39(43)53(34-19-5-2-6-20-34)40-26-12-16-30-44(40)55)32-31-45(47(48)49-51-35-21-7-8-22-36(35)56(49)50)54-41-27-13-9-23-37(41)52(33-17-3-1-4-18-33)38-24-10-14-28-42(38)54/h1-32H
InChIKeyGQQUGOFRANANLH-UHFFFAOYSA-N
XLogP13.21
TPSA47.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.85
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,4-bis(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248103
3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248025
4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 130417555
1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248165
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
15-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122493132
methoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one
CID 54246680
2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248032
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine
CID 134165975
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
lithium 2-(1-phenylbenzimidazol-2-yl)phenolate
CID 118618865

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one?
The IUPAC name of 1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one (CID 121248120) is 1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one.
What is the SMILES notation for 1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one?
The canonical SMILES for 1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one is O=C1c2c(N3c4ccccc4N(c4ccccc4)c4ccccc43)ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)c2-c2nc3ccccc3n21.
What is the InChIKey of 1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one?
The InChIKey is GQQUGOFRANANLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6O/c57-50-48-46(55-43-29-15-11-25-39(43)53(34-19-5-2-6-20-34)40-26-12-16-30-44(40)55)32-31-45(47(48)49-51-35-21-7-8-22-36(35)56(49)50)54-41-27-13-9-23-37(41)52(33-17-3-1-4-18-33)38-24-10-14-28-42(38)54/h1-32H.
What are the key properties of 1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one?
1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one has a molecular weight of 732.85 g/mol, XLogP of 13.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one is sourced from PubChem (CID 121248120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).