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

C29H21N3O — CID 141460914

IUPAC8-[2-(N-phenylanilino)phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
SMILESOC1(c2ccccc2N(c2ccccc2)c2ccccc2)c2cccnc2-c2ncccc21
InChIInChI=1S/C29H21N3O/c33-29(24-16-9-19-30-27(24)28-25(29)17-10-20-31-28)23-15-7-8-18-26(23)32(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-20,33H
InChIKeyIFHCYLDAFZOLDF-UHFFFAOYSA-N
MW427.51 g/mol
LogP6.21
Rot. Bonds4

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

8-[2-(N-phenylanilino)phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol (PubChem CID 141460914) has the molecular formula C29H21N3O and a molecular weight of 427.51 g/mol. Its IUPAC name is 8-[2-(N-phenylanilino)phenyl]-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-(N-phenylanilino)phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
PubChem CID141460914
Molecular FormulaC29H21N3O
Molecular Weight427.51 g/mol
Exact Mass427.17
IUPAC Name8-[2-(N-phenylanilino)phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
SMILESOC1(c2ccccc2N(c2ccccc2)c2ccccc2)c2cccnc2-c2ncccc21
InChIInChI=1S/C29H21N3O/c33-29(24-16-9-19-30-27(24)28-25(29)17-10-20-31-28)23-15-7-8-18-26(23)32(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-20,33H
InChIKeyIFHCYLDAFZOLDF-UHFFFAOYSA-N
XLogP6.21
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenyl-5H-indeno[1,2-b]pyridin-5-ol
CID 2767764
5-Ethyl-5H-indeno[1,2-b]pyridin-5-ol
CID 3774721
4-Phenyl-1-(phenyl(pyridin-2-yl)methyl)piperidin-4-ol
CID 44426822
3-(Dimethylamino)-1-(1-methyl-1H-indol-3-yl)-1-phenylpropan-1-ol
CID 59462
4-Piperidinol, 1,1'-((2-phenyl-1,3-indolizinediyl)bis(methylene))bis(4-phenyl-
CID 3041970
Cambridge id 5610394
CID 2729787
Phenyl-[7-[phenyl(pyridin-2-yl)methylidene]-2-bicyclo[2.2.1]hept-2-enyl]-pyridin-2-ylmethanol
CID 44424920
2-(2-pyridin-2-yl-5H-indeno[1,2-b]pyridin-4-yl)phenol
CID 137317550
5-(Phenylethynyl)-5H-indeno[1,2-b]pyridin-5-ol
CID 624798
(5R)-5-propan-2-ylindeno[1,2-b]pyridin-5-ol
CID 704372
3,13-Diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
CID 43829317
5-biphenyl-2-yl-5H-cyclopenta[2,1-b;3,4-b']dipyridin-5-ol
CID 69412952

Frequently Asked Questions

What is the IUPAC name of 8-[2-(N-phenylanilino)phenyl]-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-(N-phenylanilino)phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol (CID 141460914) is 8-[2-(N-phenylanilino)phenyl]-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-(N-phenylanilino)phenyl]-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-(N-phenylanilino)phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol is OC1(c2ccccc2N(c2ccccc2)c2ccccc2)c2cccnc2-c2ncccc21.
What is the InChIKey of 8-[2-(N-phenylanilino)phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
The InChIKey is IFHCYLDAFZOLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O/c33-29(24-16-9-19-30-27(24)28-25(29)17-10-20-31-28)23-15-7-8-18-26(23)32(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-20,33H.
What are the key properties of 8-[2-(N-phenylanilino)phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
8-[2-(N-phenylanilino)phenyl]-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 427.51 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(N-phenylanilino)phenyl]-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 141460914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).