5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one

C43H26N2O2 — CID 146176130

IUPAC5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one
SMILESO=c1c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc2oc2c(-c3ccccc3)cccc12
InChIInChI=1S/C43H26N2O2/c46-42-35-23-22-29(26-39(35)47-43-30(18-11-19-36(42)43)27-12-3-1-4-13-27)45-38-21-10-8-17-32(38)34-25-24-33-31-16-7-9-20-37(31)44(40(33)41(34)45)28-14-5-2-6-15-28/h1-26H
InChIKeyOQTSPJPGUZVCJU-UHFFFAOYSA-N
MW602.69 g/mol
LogP10.81
Rot. Bonds3

About 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one

5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one (PubChem CID 146176130) has the molecular formula C43H26N2O2 and a molecular weight of 602.69 g/mol. Its IUPAC name is 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one.

Molecular Properties

Compound Name5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one
PubChem CID146176130
Molecular FormulaC43H26N2O2
Molecular Weight602.69 g/mol
Exact Mass602.20
IUPAC Name5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one
SMILESO=c1c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc2oc2c(-c3ccccc3)cccc12
InChIInChI=1S/C43H26N2O2/c46-42-35-23-22-29(26-39(35)47-43-30(18-11-19-36(42)43)27-12-3-1-4-13-27)45-38-21-10-8-17-32(38)34-25-24-33-31-16-7-9-20-37(31)44(40(33)41(34)45)28-14-5-2-6-15-28/h1-26H
InChIKeyOQTSPJPGUZVCJU-UHFFFAOYSA-N
XLogP10.81
TPSA40.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.69
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

11-phenyl-12-(6-phenyldibenzofuran-3-yl)indolo[2,3-a]carbazole
CID 122594951
12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 169059257
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione
CID 164765324
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 170688597
6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one
CID 146176018
12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11,12-diphenyl-3-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole;methane
CID 158881959
12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 90191500
4-[4-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-5-phenylphenyl]phenyl]xanthen-9-one
CID 176758577
11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 118595440

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one?
The IUPAC name of 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one (CID 146176130) is 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one.
What is the SMILES notation for 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one?
The canonical SMILES for 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one is O=c1c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc2oc2c(-c3ccccc3)cccc12.
What is the InChIKey of 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one?
The InChIKey is OQTSPJPGUZVCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O2/c46-42-35-23-22-29(26-39(35)47-43-30(18-11-19-36(42)43)27-12-3-1-4-13-27)45-38-21-10-8-17-32(38)34-25-24-33-31-16-7-9-20-37(31)44(40(33)41(34)45)28-14-5-2-6-15-28/h1-26H.
What are the key properties of 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one?
5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one has a molecular weight of 602.69 g/mol, XLogP of 10.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one is sourced from PubChem (CID 146176130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).