carbazol-9-yl(phenanthridin-6-yl)methanone

C26H16N2O — CID 139193554

IUPACcarbazol-9-yl(phenanthridin-6-yl)methanone
SMILESO=C(c1nc2ccccc2c2ccccc12)n1c2ccccc2c2ccccc21
InChIInChI=1S/C26H16N2O/c29-26(28-23-15-7-4-11-19(23)20-12-5-8-16-24(20)28)25-21-13-2-1-9-17(21)18-10-3-6-14-22(18)27-25/h1-16H
InChIKeyCVSKYIMZNQCHIX-UHFFFAOYSA-N
MW372.43 g/mol
LogP6.18
Rot. Bonds1

About carbazol-9-yl(phenanthridin-6-yl)methanone

carbazol-9-yl(phenanthridin-6-yl)methanone (PubChem CID 139193554) has the molecular formula C26H16N2O and a molecular weight of 372.43 g/mol. Its IUPAC name is carbazol-9-yl(phenanthridin-6-yl)methanone.

Molecular Properties

Compound Namecarbazol-9-yl(phenanthridin-6-yl)methanone
PubChem CID139193554
Molecular FormulaC26H16N2O
Molecular Weight372.43 g/mol
Exact Mass372.13
IUPAC Namecarbazol-9-yl(phenanthridin-6-yl)methanone
SMILESO=C(c1nc2ccccc2c2ccccc12)n1c2ccccc2c2ccccc21
InChIInChI=1S/C26H16N2O/c29-26(28-23-15-7-4-11-19(23)20-12-5-8-16-24(20)28)25-21-13-2-1-9-17(21)18-10-3-6-14-22(18)27-25/h1-16H
InChIKeyCVSKYIMZNQCHIX-UHFFFAOYSA-N
XLogP6.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

iridium;phenanthridine-6-carboxylic acid
CID 59015465
N-tert-butylphenanthridine-6-carboxamide
CID 102585131
carbazole-9-carbonyl fluoride
CID 45082000
1-carbazol-9-yl-2,2,2-trifluoroethanone
CID 13072859
9-aminophenanthridine-6-carboxylic acid
CID 131861121
1-carbazol-9-ylethanone;ethane
CID 142183368
4-phenylquinoline-2,3-dicarboxylic acid
CID 23469806
9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene
CID 122427077
2-aminobenzimidazole-1-carboxylic acid
CID 20537592
5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile
CID 155676296
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
1-carbazol-9-yl-2-methylbutan-1-one
CID 58981488

Frequently Asked Questions

What is the IUPAC name of carbazol-9-yl(phenanthridin-6-yl)methanone?
The IUPAC name of carbazol-9-yl(phenanthridin-6-yl)methanone (CID 139193554) is carbazol-9-yl(phenanthridin-6-yl)methanone.
What is the SMILES notation for carbazol-9-yl(phenanthridin-6-yl)methanone?
The canonical SMILES for carbazol-9-yl(phenanthridin-6-yl)methanone is O=C(c1nc2ccccc2c2ccccc12)n1c2ccccc2c2ccccc21.
What is the InChIKey of carbazol-9-yl(phenanthridin-6-yl)methanone?
The InChIKey is CVSKYIMZNQCHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O/c29-26(28-23-15-7-4-11-19(23)20-12-5-8-16-24(20)28)25-21-13-2-1-9-17(21)18-10-3-6-14-22(18)27-25/h1-16H.
What are the key properties of carbazol-9-yl(phenanthridin-6-yl)methanone?
carbazol-9-yl(phenanthridin-6-yl)methanone has a molecular weight of 372.43 g/mol, XLogP of 6.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbazol-9-yl(phenanthridin-6-yl)methanone is sourced from PubChem (CID 139193554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).