8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene

C18H13N — CID 163458762

IUPAC8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene
SMILESC1=C2C/C2=N/c2ccccc2C(c2ccccc2)=C1
InChIInChI=1S/C18H13N/c1-2-6-13(7-3-1)15-11-10-14-12-18(14)19-17-9-5-4-8-16(15)17/h1-11H,12H2/b11-10?,14-10?,15-11?,16-15?,19-17-,19-18-
InChIKeyBMTOXDAYAZIKBN-RUIPWFKDSA-N
MW243.31 g/mol
LogP4.53
Rot. Bonds1

About 8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene

8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene (PubChem CID 163458762) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is 8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene.

Molecular Properties

Compound Name8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene
PubChem CID163458762
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Name8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene
SMILESC1=C2C/C2=N/c2ccccc2C(c2ccccc2)=C1
InChIInChI=1S/C18H13N/c1-2-6-13(7-3-1)15-11-10-14-12-18(14)19-17-9-5-4-8-16(15)17/h1-11H,12H2/b11-10?,14-10?,15-11?,16-15?,19-17-,19-18-
InChIKeyBMTOXDAYAZIKBN-RUIPWFKDSA-N
XLogP4.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 690692
hydron;pyrrolo[2,3-b]indole
CID 174636442
1,2-dimethyl-1H-carbazole
CID 173095899
1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one
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methane;1-phenyl-2-(2-phenylphenyl)benzene
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2-(4-methylsulfonylphenyl)-3H-quinolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene?
The IUPAC name of 8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene (CID 163458762) is 8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene.
What is the SMILES notation for 8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene?
The canonical SMILES for 8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene is C1=C2C/C2=N/c2ccccc2C(c2ccccc2)=C1.
What is the InChIKey of 8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene?
The InChIKey is BMTOXDAYAZIKBN-RUIPWFKDSA-N. The full InChI is InChI=1S/C18H13N/c1-2-6-13(7-3-1)15-11-10-14-12-18(14)19-17-9-5-4-8-16(15)17/h1-11H,12H2/b11-10?,14-10?,15-11?,16-15?,19-17-,19-18-.
What are the key properties of 8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene?
8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene has a molecular weight of 243.31 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaene is sourced from PubChem (CID 163458762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).