1,3-dimethyl-2-naphthalen-1-ylphenanthrene

C26H20 — CID 15440758

IUPAC1,3-dimethyl-2-naphthalen-1-ylphenanthrene
SMILESCc1cc2c(ccc3ccccc32)c(C)c1-c1cccc2ccccc12
InChIInChI=1S/C26H20/c1-17-16-25-21(15-14-20-9-4-6-12-23(20)25)18(2)26(17)24-13-7-10-19-8-3-5-11-22(19)24/h3-16H,1-2H3
InChIKeyXSXJVFPGYMQVKJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP7.43
Rot. Bonds1

About 1,3-dimethyl-2-naphthalen-1-ylphenanthrene

1,3-dimethyl-2-naphthalen-1-ylphenanthrene (PubChem CID 15440758) has the molecular formula C26H20 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1,3-dimethyl-2-naphthalen-1-ylphenanthrene.

Molecular Properties

Compound Name1,3-dimethyl-2-naphthalen-1-ylphenanthrene
PubChem CID15440758
Molecular FormulaC26H20
Molecular Weight332.45 g/mol
Exact Mass332.16
IUPAC Name1,3-dimethyl-2-naphthalen-1-ylphenanthrene
SMILESCc1cc2c(ccc3ccccc32)c(C)c1-c1cccc2ccccc12
InChIInChI=1S/C26H20/c1-17-16-25-21(15-14-20-9-4-6-12-23(20)25)18(2)26(17)24-13-7-10-19-8-3-5-11-22(19)24/h3-16H,1-2H3
InChIKeyXSXJVFPGYMQVKJ-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
9,10-dimethyl-3-naphthalen-1-ylphenanthrene
CID 158591349
1-(2,3-dimethylphenyl)phenanthrene
CID 175838627
8-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 123644707
1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene
CID 161395588
11-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 123944881
1,2-dinaphthalen-1-yl-3-phenylchrysene
CID 166134369
3-methyl-1,6-dinaphthalen-1-ylpyrene
CID 142716789
15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 22900021
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene
CID 175811035
2-tert-butyl-9-[4-(2-methylphenyl)naphthalen-1-yl]-10-naphthalen-1-ylanthracene
CID 58895436

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-naphthalen-1-ylphenanthrene?
The IUPAC name of 1,3-dimethyl-2-naphthalen-1-ylphenanthrene (CID 15440758) is 1,3-dimethyl-2-naphthalen-1-ylphenanthrene.
What is the SMILES notation for 1,3-dimethyl-2-naphthalen-1-ylphenanthrene?
The canonical SMILES for 1,3-dimethyl-2-naphthalen-1-ylphenanthrene is Cc1cc2c(ccc3ccccc32)c(C)c1-c1cccc2ccccc12.
What is the InChIKey of 1,3-dimethyl-2-naphthalen-1-ylphenanthrene?
The InChIKey is XSXJVFPGYMQVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20/c1-17-16-25-21(15-14-20-9-4-6-12-23(20)25)18(2)26(17)24-13-7-10-19-8-3-5-11-22(19)24/h3-16H,1-2H3.
What are the key properties of 1,3-dimethyl-2-naphthalen-1-ylphenanthrene?
1,3-dimethyl-2-naphthalen-1-ylphenanthrene has a molecular weight of 332.45 g/mol, XLogP of 7.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-naphthalen-1-ylphenanthrene is sourced from PubChem (CID 15440758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).