2,4,8-trimethyl-6-phenylphenanthridine

C22H19N — CID 122225138

IUPAC2,4,8-trimethyl-6-phenylphenanthridine
SMILESCc1ccc2c(c1)c(-c1ccccc1)nc1c(C)cc(C)cc12
InChIInChI=1S/C22H19N/c1-14-9-10-18-19-13-15(2)11-16(3)21(19)23-22(20(18)12-14)17-7-5-4-6-8-17/h4-13H,1-3H3
InChIKeyCYCIKHFQMVFKMQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.98
Rot. Bonds1

About 2,4,8-trimethyl-6-phenylphenanthridine

2,4,8-trimethyl-6-phenylphenanthridine (PubChem CID 122225138) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 2,4,8-trimethyl-6-phenylphenanthridine.

Molecular Properties

Compound Name2,4,8-trimethyl-6-phenylphenanthridine
PubChem CID122225138
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name2,4,8-trimethyl-6-phenylphenanthridine
SMILESCc1ccc2c(c1)c(-c1ccccc1)nc1c(C)cc(C)cc12
InChIInChI=1S/C22H19N/c1-14-9-10-18-19-13-15(2)11-16(3)21(19)23-22(20(18)12-14)17-7-5-4-6-8-17/h4-13H,1-3H3
InChIKeyCYCIKHFQMVFKMQ-UHFFFAOYSA-N
XLogP5.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.98
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

N,3,6,8-tetramethyl-2-phenylquinolin-4-amine
CID 104846969
(3,6,8-trimethyl-2-phenylquinolin-4-yl)hydrazine
CID 104847189
3-(4-methylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
CID 59090361
6,8-dimethyl-2-phenylquinolin-4-amine
CID 62201634
5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
CID 10006180
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
CID 19647901
3,8-dimethyl-6-[3-[(E)-2-phenylethenyl]phenyl]phenanthridine
CID 58281982
(6,8-dimethyl-2-phenylquinolin-4-yl)hydrazine
CID 63484238
8-methyl-1-phenylnaphtho[2,1-f]isoquinoline
CID 118595090
2-methylpropyl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate
CID 19648393
3-chloro-6-methyl-1-phenylisoquinoline-4-carbaldehyde
CID 14567289
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477

Frequently Asked Questions

What is the IUPAC name of 2,4,8-trimethyl-6-phenylphenanthridine?
The IUPAC name of 2,4,8-trimethyl-6-phenylphenanthridine (CID 122225138) is 2,4,8-trimethyl-6-phenylphenanthridine.
What is the SMILES notation for 2,4,8-trimethyl-6-phenylphenanthridine?
The canonical SMILES for 2,4,8-trimethyl-6-phenylphenanthridine is Cc1ccc2c(c1)c(-c1ccccc1)nc1c(C)cc(C)cc12.
What is the InChIKey of 2,4,8-trimethyl-6-phenylphenanthridine?
The InChIKey is CYCIKHFQMVFKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-14-9-10-18-19-13-15(2)11-16(3)21(19)23-22(20(18)12-14)17-7-5-4-6-8-17/h4-13H,1-3H3.
What are the key properties of 2,4,8-trimethyl-6-phenylphenanthridine?
2,4,8-trimethyl-6-phenylphenanthridine has a molecular weight of 297.40 g/mol, XLogP of 5.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trimethyl-6-phenylphenanthridine is sourced from PubChem (CID 122225138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).