N,5,7-trimethylphenanthridin-6-imine

C16H16N2 — CID 123267769

IUPACN,5,7-trimethylphenanthridin-6-imine
SMILESC/N=c1/c2c(C)cccc2c2ccccc2n1C
InChIInChI=1S/C16H16N2/c1-11-7-6-9-13-12-8-4-5-10-14(12)18(3)16(17-2)15(11)13/h4-10H,1-3H3/b17-16-
InChIKeyCYMQPWYMDFROQF-MSUUIHNZSA-N
MW236.32 g/mol
LogP3.17
Rot. Bonds

About N,5,7-trimethylphenanthridin-6-imine

N,5,7-trimethylphenanthridin-6-imine (PubChem CID 123267769) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N,5,7-trimethylphenanthridin-6-imine.

Molecular Properties

Compound NameN,5,7-trimethylphenanthridin-6-imine
PubChem CID123267769
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC NameN,5,7-trimethylphenanthridin-6-imine
SMILESC/N=c1/c2c(C)cccc2c2ccccc2n1C
InChIInChI=1S/C16H16N2/c1-11-7-6-9-13-12-8-4-5-10-14(12)18(3)16(17-2)15(11)13/h4-10H,1-3H3/b17-16-
InChIKeyCYMQPWYMDFROQF-MSUUIHNZSA-N
XLogP3.17
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,5,7-trimethylphenanthridin-6-imine?
The IUPAC name of N,5,7-trimethylphenanthridin-6-imine (CID 123267769) is N,5,7-trimethylphenanthridin-6-imine.
What is the SMILES notation for N,5,7-trimethylphenanthridin-6-imine?
The canonical SMILES for N,5,7-trimethylphenanthridin-6-imine is C/N=c1/c2c(C)cccc2c2ccccc2n1C.
What is the InChIKey of N,5,7-trimethylphenanthridin-6-imine?
The InChIKey is CYMQPWYMDFROQF-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H16N2/c1-11-7-6-9-13-12-8-4-5-10-14(12)18(3)16(17-2)15(11)13/h4-10H,1-3H3/b17-16-.
What are the key properties of N,5,7-trimethylphenanthridin-6-imine?
N,5,7-trimethylphenanthridin-6-imine has a molecular weight of 236.32 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,7-trimethylphenanthridin-6-imine is sourced from PubChem (CID 123267769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).