2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine

C26H21N — CID 170122920

IUPAC2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine
SMILESCc1ccc2c(c1)-c1cc(-c3ccc(-c4ccccc4)cc3)ccc1CN2
InChIInChI=1S/C26H21N/c1-18-7-14-26-25(15-18)24-16-22(12-13-23(24)17-27-26)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-16,27H,17H2,1H3
InChIKeyZLFFWCNETHIWCR-UHFFFAOYSA-N
MW347.46 g/mol
LogP6.92
Rot. Bonds2

About 2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine

2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine (PubChem CID 170122920) has the molecular formula C26H21N and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine.

Molecular Properties

Compound Name2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine
PubChem CID170122920
Molecular FormulaC26H21N
Molecular Weight347.46 g/mol
Exact Mass347.17
IUPAC Name2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine
SMILESCc1ccc2c(c1)-c1cc(-c3ccc(-c4ccccc4)cc3)ccc1CN2
InChIInChI=1S/C26H21N/c1-18-7-14-26-25(15-18)24-16-22(12-13-23(24)17-27-26)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-16,27H,17H2,1H3
InChIKeyZLFFWCNETHIWCR-UHFFFAOYSA-N
XLogP6.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine?
The IUPAC name of 2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine (CID 170122920) is 2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine.
What is the SMILES notation for 2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine?
The canonical SMILES for 2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine is Cc1ccc2c(c1)-c1cc(-c3ccc(-c4ccccc4)cc3)ccc1CN2.
What is the InChIKey of 2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine?
The InChIKey is ZLFFWCNETHIWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N/c1-18-7-14-26-25(15-18)24-16-22(12-13-23(24)17-27-26)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-16,27H,17H2,1H3.
What are the key properties of 2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine?
2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine has a molecular weight of 347.46 g/mol, XLogP of 6.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(4-phenylphenyl)-5,6-dihydrophenanthridine is sourced from PubChem (CID 170122920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).