14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene

C19H12N2Se — CID 144569142

IUPAC14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene
SMILESc1ccc(-c2c[nH]c3nc4[se]c5ccccc5c4cc23)cc1
InChIInChI=1S/C19H12N2Se/c1-2-6-12(7-3-1)16-11-20-18-14(16)10-15-13-8-4-5-9-17(13)22-19(15)21-18/h1-11H,(H,20,21)
InChIKeyRMXIGPZGRAQCLB-UHFFFAOYSA-N
MW347.28 g/mol
LogP4.59
Rot. Bonds1

About 14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene

14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene (PubChem CID 144569142) has the molecular formula C19H12N2Se and a molecular weight of 347.28 g/mol. Its IUPAC name is 14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene.

Molecular Properties

Compound Name14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene
PubChem CID144569142
Molecular FormulaC19H12N2Se
Molecular Weight347.28 g/mol
Exact Mass348.02
IUPAC Name14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene
SMILESc1ccc(-c2c[nH]c3nc4[se]c5ccccc5c4cc23)cc1
InChIInChI=1S/C19H12N2Se/c1-2-6-12(7-3-1)16-11-20-18-14(16)10-15-13-8-4-5-9-17(13)22-19(15)21-18/h1-11H,(H,20,21)
InChIKeyRMXIGPZGRAQCLB-UHFFFAOYSA-N
XLogP4.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene
CID 144569238
methane;3-phenyl-1H-indole
CID 167711687
4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155251412
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44623244
6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 133087909
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 11481594
2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 66786947
4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 84728048
6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 53494817
6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 133095528

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene?
The IUPAC name of 14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene (CID 144569142) is 14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene.
What is the SMILES notation for 14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene?
The canonical SMILES for 14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene is c1ccc(-c2c[nH]c3nc4[se]c5ccccc5c4cc23)cc1.
What is the InChIKey of 14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene?
The InChIKey is RMXIGPZGRAQCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2Se/c1-2-6-12(7-3-1)16-11-20-18-14(16)10-15-13-8-4-5-9-17(13)22-19(15)21-18/h1-11H,(H,20,21).
What are the key properties of 14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene?
14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene has a molecular weight of 347.28 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene is sourced from PubChem (CID 144569142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).