8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol

C23H16N2O — CID 69412952

IUPAC8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
SMILESOC1(c2ccccc2-c2ccccc2)c2cccnc2-c2ncccc21
InChIInChI=1S/C23H16N2O/c26-23(18-11-5-4-10-17(18)16-8-2-1-3-9-16)19-12-6-14-24-21(19)22-20(23)13-7-15-25-22/h1-15,26H
InChIKeyHFRUGXAFNVIASE-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.41
Rot. Bonds2

About 8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol

8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol (PubChem CID 69412952) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol.

Molecular Properties

Compound Name8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
PubChem CID69412952
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
SMILESOC1(c2ccccc2-c2ccccc2)c2cccnc2-c2ncccc21
InChIInChI=1S/C23H16N2O/c26-23(18-11-5-4-10-17(18)16-8-2-1-3-9-16)19-12-6-14-24-21(19)22-20(23)13-7-15-25-22/h1-15,26H
InChIKeyHFRUGXAFNVIASE-UHFFFAOYSA-N
XLogP4.41
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
The IUPAC name of 8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol (CID 69412952) is 8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol.
What is the SMILES notation for 8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
The canonical SMILES for 8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol is OC1(c2ccccc2-c2ccccc2)c2cccnc2-c2ncccc21.
What is the InChIKey of 8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
The InChIKey is HFRUGXAFNVIASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c26-23(18-11-5-4-10-17(18)16-8-2-1-3-9-16)19-12-6-14-24-21(19)22-20(23)13-7-15-25-22/h1-15,26H.
What are the key properties of 8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol has a molecular weight of 336.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol is sourced from PubChem (CID 69412952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).