5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene

C19H13N3 — CID 144569314

IUPAC5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene
SMILESc1ccc(-c2c[nH]c3c2ccc2[nH]c4ncccc4c23)cc1
InChIInChI=1S/C19H13N3/c1-2-5-12(6-3-1)15-11-21-18-13(15)8-9-16-17(18)14-7-4-10-20-19(14)22-16/h1-11,21H,(H,20,22)
InChIKeyGVNVOIXOKNQDCO-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.86
Rot. Bonds1

About 5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene

5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene (PubChem CID 144569314) has the molecular formula C19H13N3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene.

Molecular Properties

Compound Name5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene
PubChem CID144569314
Molecular FormulaC19H13N3
Molecular Weight283.33 g/mol
Exact Mass283.11
IUPAC Name5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene
SMILESc1ccc(-c2c[nH]c3c2ccc2[nH]c4ncccc4c23)cc1
InChIInChI=1S/C19H13N3/c1-2-5-12(6-3-1)15-11-21-18-13(15)8-9-16-17(18)14-7-4-10-20-19(14)22-16/h1-11,21H,(H,20,22)
InChIKeyGVNVOIXOKNQDCO-UHFFFAOYSA-N
XLogP4.86
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene with MolForge

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Related Compounds

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CID 144569350
6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 53494817
2-[(3-phenyl-1H-pyrrolo[2,3-c]pyridin-7-yl)amino]ethanol
CID 86179128
6,7-dibromo-3-phenyl-1H-indole
CID 134859239
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
8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 134348755
methane;3-phenyl-1H-indole
CID 167711687
11-phenyl-6H-indolo[2,3-b][1,5]naphthyridine
CID 10541908
7-phenylbenzo[f][4,7]phenanthroline
CID 169052915
3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole
CID 130353330
6-(2-pyridin-2-ylphenyl)-9H-pyrido[2,3-b]indole
CID 163984381

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene?
The IUPAC name of 5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene (CID 144569314) is 5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene.
What is the SMILES notation for 5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene?
The canonical SMILES for 5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene is c1ccc(-c2c[nH]c3c2ccc2[nH]c4ncccc4c23)cc1.
What is the InChIKey of 5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene?
The InChIKey is GVNVOIXOKNQDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3/c1-2-5-12(6-3-1)15-11-21-18-13(15)8-9-16-17(18)14-7-4-10-20-19(14)22-16/h1-11,21H,(H,20,22).
What are the key properties of 5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene?
5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene has a molecular weight of 283.33 g/mol, XLogP of 4.86, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene is sourced from PubChem (CID 144569314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).