2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium

C29H22N+ — CID 59575248

IUPAC2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium
SMILESCc1ccc2ccccc2c1-c1cc2c3ccccc3c3ccccc3c2c[n+]1C
InChIInChI=1S/C29H22N/c1-19-15-16-20-9-3-4-10-21(20)29(19)28-17-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27(26)18-30(28)2/h3-18H,1-2H3/q+1
InChIKeyRFSZGEKPBKMMTC-UHFFFAOYSA-N
MW384.50 g/mol
LogP7.10
Rot. Bonds1

About 2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium

2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium (PubChem CID 59575248) has the molecular formula C29H22N+ and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium.

Molecular Properties

Compound Name2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium
PubChem CID59575248
Molecular FormulaC29H22N+
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium
SMILESCc1ccc2ccccc2c1-c1cc2c3ccccc3c3ccccc3c2c[n+]1C
InChIInChI=1S/C29H22N/c1-19-15-16-20-9-3-4-10-21(20)29(19)28-17-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27(26)18-30(28)2/h3-18H,1-2H3/q+1
InChIKeyRFSZGEKPBKMMTC-UHFFFAOYSA-N
XLogP7.10
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine
CID 172528418
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1,4-dimethyl-6-(3-methylphenanthren-4-yl)pyrimidin-1-ium
CID 147766854
1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-4-propan-2-ylpyridin-1-ium
CID 167365073
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
3,7,7,10,10-pentamethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-8,9-dihydrobenzo[f]isoquinolin-3-ium
CID 176822878
3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium
CID 176812281
2-methyl-1-(3-methylnaphthalen-1-yl)naphthalene
CID 15148511
1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium
CID 172528370
1,4,5-trimethyl-2-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)pyridin-1-ium
CID 140940563
2-(7-fluoro-3-methyl-6-phenanthren-9-yldibenzofuran-4-yl)-1,4,5-trimethylpyridin-1-ium
CID 169077031

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium?
The IUPAC name of 2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium (CID 59575248) is 2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium.
What is the SMILES notation for 2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium?
The canonical SMILES for 2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium is Cc1ccc2ccccc2c1-c1cc2c3ccccc3c3ccccc3c2c[n+]1C.
What is the InChIKey of 2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium?
The InChIKey is RFSZGEKPBKMMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N/c1-19-15-16-20-9-3-4-10-21(20)29(19)28-17-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27(26)18-30(28)2/h3-18H,1-2H3/q+1.
What are the key properties of 2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium?
2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium has a molecular weight of 384.50 g/mol, XLogP of 7.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium is sourced from PubChem (CID 59575248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).