2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one

C78H45N9O4S — CID 158739311

IUPAC2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one
SMILESO=C1c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2nc3ccccc3n21.O=C1c2cc(N3c4ccccc4Oc4ccccc43)ccc2-c2nc3ccccc3n21.O=C1c2cc(N3c4ccccc4Sc4ccccc43)ccc2-c2nc3ccccc3n21
InChIInChI=1S/C26H15N3O2.C26H15N3OS.C26H15N3O/c2*30-26-18-15-16(13-14-17(18)25-27-19-7-1-2-8-20(19)29(25)26)28-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)28;30-26-20-15-16(13-14-19(20)25-27-21-9-3-6-12-24(21)29(25)26)28-22-10-4-1-7-17(22)18-8-2-5-11-23(18)28/h2*1-15H;1-15H
InChIKeyIMBVMBHBDVLBIG-UHFFFAOYSA-N
MW1204.34 g/mol
LogP18.72
Rot. Bonds3

About 2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one

2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one (PubChem CID 158739311) has the molecular formula C78H45N9O4S and a molecular weight of 1204.34 g/mol. Its IUPAC name is 2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one.

Molecular Properties

Compound Name2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one
PubChem CID158739311
Molecular FormulaC78H45N9O4S
Molecular Weight1204.34 g/mol
Exact Mass1203.33
IUPAC Name2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one
SMILESO=C1c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2nc3ccccc3n21.O=C1c2cc(N3c4ccccc4Oc4ccccc43)ccc2-c2nc3ccccc3n21.O=C1c2cc(N3c4ccccc4Sc4ccccc43)ccc2-c2nc3ccccc3n21
InChIInChI=1S/C26H15N3O2.C26H15N3OS.C26H15N3O/c2*30-26-18-15-16(13-14-17(18)25-27-19-7-1-2-8-20(19)29(25)26)28-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)28;30-26-20-15-16(13-14-19(20)25-27-21-9-3-6-12-24(21)29(25)26)28-22-10-4-1-7-17(22)18-8-2-5-11-23(18)28/h2*1-15H;1-15H
InChIKeyIMBVMBHBDVLBIG-UHFFFAOYSA-N
XLogP18.72
TPSA125.31 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001204.34
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one with MolForge

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Related Compounds

10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
CID 129148191
2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248032
3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248025
3'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654552
2,3-bis(9-oxoacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248023
2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine
CID 90201700
10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine
CID 118605227
10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine
CID 129148213
10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine
CID 163493482
21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene
CID 165064841
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one?
The IUPAC name of 2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one (CID 158739311) is 2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one.
What is the SMILES notation for 2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one?
The canonical SMILES for 2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one is O=C1c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2nc3ccccc3n21.O=C1c2cc(N3c4ccccc4Oc4ccccc43)ccc2-c2nc3ccccc3n21.O=C1c2cc(N3c4ccccc4Sc4ccccc43)ccc2-c2nc3ccccc3n21.
What is the InChIKey of 2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one?
The InChIKey is IMBVMBHBDVLBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15N3O2.C26H15N3OS.C26H15N3O/c2*30-26-18-15-16(13-14-17(18)25-27-19-7-1-2-8-20(19)29(25)26)28-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)28;30-26-20-15-16(13-14-19(20)25-27-21-9-3-6-12-24(21)29(25)26)28-22-10-4-1-7-17(22)18-8-2-5-11-23(18)28/h2*1-15H;1-15H.
What are the key properties of 2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one?
2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one has a molecular weight of 1204.34 g/mol, XLogP of 18.72, 3 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one is sourced from PubChem (CID 158739311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).