1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile

C33H16N2O4 — CID 164765308

IUPAC1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile
SMILESN#Cc1cccc2c(=O)c3cc4c(=O)c5c(-n6c7ccccc7c7ccccc76)cccc5oc4cc3oc12
InChIInChI=1S/C33H16N2O4/c34-17-18-7-5-10-21-31(36)22-15-23-28(16-29(22)39-33(18)21)38-27-14-6-13-26(30(27)32(23)37)35-24-11-3-1-8-19(24)20-9-2-4-12-25(20)35/h1-16H
InChIKeyKPCRZRRRVAYJII-UHFFFAOYSA-N
MW504.50 g/mol
LogP7.17
Rot. Bonds1

About 1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile

1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile (PubChem CID 164765308) has the molecular formula C33H16N2O4 and a molecular weight of 504.50 g/mol. Its IUPAC name is 1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile.

Molecular Properties

Compound Name1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile
PubChem CID164765308
Molecular FormulaC33H16N2O4
Molecular Weight504.50 g/mol
Exact Mass504.11
IUPAC Name1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile
SMILESN#Cc1cccc2c(=O)c3cc4c(=O)c5c(-n6c7ccccc7c7ccccc76)cccc5oc4cc3oc12
InChIInChI=1S/C33H16N2O4/c34-17-18-7-5-10-21-31(36)22-15-23-28(16-29(22)39-33(18)21)38-27-14-6-13-26(30(27)32(23)37)35-24-11-3-1-8-19(24)20-9-2-4-12-25(20)35/h1-16H
InChIKeyKPCRZRRRVAYJII-UHFFFAOYSA-N
XLogP7.17
TPSA89.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.50
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile
CID 118396651
1-(3,6-ditert-butylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765359
6-carbazol-9-yl-2-dibenzofuran-1-yldibenzofuran-4-carbonitrile
CID 153148571
6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one
CID 134428388
4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765230
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317
9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile
CID 118396693
2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one
CID 167054615
6-carbazol-9-yl-2-dibenzofuran-4-yldibenzofuran-4-carbonitrile
CID 147298764
3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione
CID 165053266
9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile
CID 122498876
9-(6-cyanodibenzofuran-2-yl)carbazole-4-carbonitrile
CID 122501072

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile?
The IUPAC name of 1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile (CID 164765308) is 1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile.
What is the SMILES notation for 1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile?
The canonical SMILES for 1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile is N#Cc1cccc2c(=O)c3cc4c(=O)c5c(-n6c7ccccc7c7ccccc76)cccc5oc4cc3oc12.
What is the InChIKey of 1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile?
The InChIKey is KPCRZRRRVAYJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H16N2O4/c34-17-18-7-5-10-21-31(36)22-15-23-28(16-29(22)39-33(18)21)38-27-14-6-13-26(30(27)32(23)37)35-24-11-3-1-8-19(24)20-9-2-4-12-25(20)35/h1-16H.
What are the key properties of 1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile?
1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile has a molecular weight of 504.50 g/mol, XLogP of 7.17, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile is sourced from PubChem (CID 164765308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).