(1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol

C19H16N2O — CID 135442808

IUPAC(1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol
SMILESC/C(O)=c1\c(C)nc2ccc(C)c3nc4ccccc4c1c23
InChIInChI=1S/C19H16N2O/c1-10-8-9-15-18-17(16(12(3)22)11(2)20-15)13-6-4-5-7-14(13)21-19(10)18/h4-9,22H,1-3H3/b16-12-
InChIKeySEMDECICRRXLPQ-VBKFSLOCSA-N
MW288.35 g/mol
LogP3.96
Rot. Bonds

About (1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol

(1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol (PubChem CID 135442808) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is (1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol.

Molecular Properties

Compound Name(1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol
PubChem CID135442808
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name(1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol
SMILESC/C(O)=c1\c(C)nc2ccc(C)c3nc4ccccc4c1c23
InChIInChI=1S/C19H16N2O/c1-10-8-9-15-18-17(16(12(3)22)11(2)20-15)13-6-4-5-7-14(13)21-19(10)18/h4-9,22H,1-3H3/b16-12-
InChIKeySEMDECICRRXLPQ-VBKFSLOCSA-N
XLogP3.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol?
The IUPAC name of (1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol (CID 135442808) is (1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol.
What is the SMILES notation for (1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol?
The canonical SMILES for (1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol is C/C(O)=c1\c(C)nc2ccc(C)c3nc4ccccc4c1c23.
What is the InChIKey of (1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol?
The InChIKey is SEMDECICRRXLPQ-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H16N2O/c1-10-8-9-15-18-17(16(12(3)22)11(2)20-15)13-6-4-5-7-14(13)21-19(10)18/h4-9,22H,1-3H3/b16-12-.
What are the key properties of (1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol?
(1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol has a molecular weight of 288.35 g/mol, XLogP of 3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol is sourced from PubChem (CID 135442808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).