2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol

C26H16N2O2 — CID 135879769

IUPAC2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol
SMILESOc1ccccc1-c1nnc(-c2ccccc2O)c2c1-c1cccc3cccc-2c13
InChIInChI=1S/C26H16N2O2/c29-20-13-3-1-9-16(20)25-23-18-11-5-7-15-8-6-12-19(22(15)18)24(23)26(28-27-25)17-10-2-4-14-21(17)30/h1-14,29-30H
InChIKeyUOUBTEPARSKFEO-UHFFFAOYSA-N
MW388.43 g/mol
LogP6.02
Rot. Bonds2

About 2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol

2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol (PubChem CID 135879769) has the molecular formula C26H16N2O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol.

Molecular Properties

Compound Name2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol
PubChem CID135879769
Molecular FormulaC26H16N2O2
Molecular Weight388.43 g/mol
Exact Mass388.12
IUPAC Name2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol
SMILESOc1ccccc1-c1nnc(-c2ccccc2O)c2c1-c1cccc3cccc-2c13
InChIInChI=1S/C26H16N2O2/c29-20-13-3-1-9-16(20)25-23-18-11-5-7-15-8-6-12-19(22(15)18)24(23)26(28-27-25)17-10-2-4-14-21(17)30/h1-14,29-30H
InChIKeyUOUBTEPARSKFEO-UHFFFAOYSA-N
XLogP6.02
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_Da(2)', 'substructure': 'N/A'}

Analyze 2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol with MolForge

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Related Compounds

11,14-bis(2-bromophenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 91603904
11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 42638865
fluoranthene
CID 139203734
2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801
2-(8-bromonaphthalen-1-yl)phenol
CID 176647066
2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol
CID 155816575
hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol
CID 132511062
2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol
CID 156562186
2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol
CID 140692175
2-(1H-perimidin-2-yl)phenol
CID 135596650
13-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524491
13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524454

Frequently Asked Questions

What is the IUPAC name of 2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol?
The IUPAC name of 2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol (CID 135879769) is 2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol.
What is the SMILES notation for 2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol?
The canonical SMILES for 2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol is Oc1ccccc1-c1nnc(-c2ccccc2O)c2c1-c1cccc3cccc-2c13.
What is the InChIKey of 2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol?
The InChIKey is UOUBTEPARSKFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O2/c29-20-13-3-1-9-16(20)25-23-18-11-5-7-15-8-6-12-19(22(15)18)24(23)26(28-27-25)17-10-2-4-14-21(17)30/h1-14,29-30H.
What are the key properties of 2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol?
2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol has a molecular weight of 388.43 g/mol, XLogP of 6.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol is sourced from PubChem (CID 135879769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).