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

C22H16N4O2 — CID 139057996

IUPAC3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
SMILESOC1c2cccnc2-c2ncccc21.OC1c2cccnc2-c2ncccc21
InChIInChI=1S/2C11H8N2O/c2*14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10/h2*1-6,11,14H
InChIKeyLSXWBROJIOMRCQ-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.08
Rot. Bonds

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

3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol (PubChem CID 139057996) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol.

Molecular Properties

Compound Name3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
PubChem CID139057996
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Name3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
SMILESOC1c2cccnc2-c2ncccc21.OC1c2cccnc2-c2ncccc21
InChIInChI=1S/2C11H8N2O/c2*14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10/h2*1-6,11,14H
InChIKeyLSXWBROJIOMRCQ-UHFFFAOYSA-N
XLogP3.08
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

[2,2':6',2''-Terpyridine]-4'-methanol
CID 15899045
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
5-Phenyl-5H-cyclopenta[2,1-b:3,4-b']dipyridin-5-ol
CID 101866341
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
8-[(2-Fluoro-4-pyridinyl)methyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
CID 21465315
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol;iridium
CID 171721160
1,3-Bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]propan-2-ol
CID 16126010
9-Phenyl-4,5-diaza-9H-fluoren-9-ol monohydrate
CID 139083764
[2-[4-(Hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol
CID 139176302
2,4-Dipyridin-2-yl-1-pyridin-3-ylbutan-1-ol
CID 322134
8-(4-Pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
CID 640032

Frequently Asked Questions

What is the IUPAC name of 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
The IUPAC name of 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol (CID 139057996) is 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 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
The canonical SMILES for 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol is OC1c2cccnc2-c2ncccc21.OC1c2cccnc2-c2ncccc21.
What is the InChIKey of 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
The InChIKey is LSXWBROJIOMRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8N2O/c2*14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10/h2*1-6,11,14H.
What are the key properties of 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
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 368.40 g/mol, XLogP of 3.08, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 139057996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).