1,4-dimethylphenanthridine

C15H13N — CID 122403892

IUPAC1,4-dimethylphenanthridine
SMILESCc1ccc(C)c2c1ncc1ccccc12
InChIInChI=1S/C15H13N/c1-10-7-8-11(2)15-14(10)13-6-4-3-5-12(13)9-16-15/h3-9H,1-2H3
InChIKeySCDVPVFVCTZBOH-UHFFFAOYSA-N
MW207.28 g/mol
LogP4.00
Rot. Bonds

About 1,4-dimethylphenanthridine

1,4-dimethylphenanthridine (PubChem CID 122403892) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 1,4-dimethylphenanthridine.

Molecular Properties

Compound Name1,4-dimethylphenanthridine
PubChem CID122403892
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name1,4-dimethylphenanthridine
SMILESCc1ccc(C)c2c1ncc1ccccc12
InChIInChI=1S/C15H13N/c1-10-7-8-11(2)15-14(10)13-6-4-3-5-12(13)9-16-15/h3-9H,1-2H3
InChIKeySCDVPVFVCTZBOH-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-methylphenanthridine
CID 101052009
7,9-dimethyl-12-thia-10,14-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58849664
9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine
CID 167697505
2-methyl-[1,3]oxazolo[5,4-c]isoquinoline
CID 11217636
4-methylsulfanylphenanthridine
CID 56651512
7-iodo-10-methyl-8-(4-methylphenyl)benzo[a]phenanthridine
CID 102489494
2-methylbenzo[h]quinazoline
CID 15811350
ethane;4-methylisoquinolin-3-amine
CID 145004950
2-chloro-8-methylquinazoline
CID 53416811
4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline
CID 58971578
N-chloro-3-methylisoquinolin-4-amine
CID 87713222
1-bromo-3H-benzo[c][1,7]naphthyridin-4-one
CID 139599899

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylphenanthridine?
The IUPAC name of 1,4-dimethylphenanthridine (CID 122403892) is 1,4-dimethylphenanthridine.
What is the SMILES notation for 1,4-dimethylphenanthridine?
The canonical SMILES for 1,4-dimethylphenanthridine is Cc1ccc(C)c2c1ncc1ccccc12.
What is the InChIKey of 1,4-dimethylphenanthridine?
The InChIKey is SCDVPVFVCTZBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-10-7-8-11(2)15-14(10)13-6-4-3-5-12(13)9-16-15/h3-9H,1-2H3.
What are the key properties of 1,4-dimethylphenanthridine?
1,4-dimethylphenanthridine has a molecular weight of 207.28 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylphenanthridine is sourced from PubChem (CID 122403892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).