9,10-dimethyl-3-naphthalen-1-ylphenanthrene

C26H20 — CID 158591349

IUPAC9,10-dimethyl-3-naphthalen-1-ylphenanthrene
SMILESCc1c(C)c2ccc(-c3cccc4ccccc34)cc2c2ccccc12
InChIInChI=1S/C26H20/c1-17-18(2)22-15-14-20(16-26(22)25-12-6-5-10-21(17)25)24-13-7-9-19-8-3-4-11-23(19)24/h3-16H,1-2H3
InChIKeyDUOMBJMRKSSTAP-UHFFFAOYSA-N
MW332.45 g/mol
LogP7.43
Rot. Bonds1

About 9,10-dimethyl-3-naphthalen-1-ylphenanthrene

9,10-dimethyl-3-naphthalen-1-ylphenanthrene (PubChem CID 158591349) has the molecular formula C26H20 and a molecular weight of 332.45 g/mol. Its IUPAC name is 9,10-dimethyl-3-naphthalen-1-ylphenanthrene.

Molecular Properties

Compound Name9,10-dimethyl-3-naphthalen-1-ylphenanthrene
PubChem CID158591349
Molecular FormulaC26H20
Molecular Weight332.45 g/mol
Exact Mass332.16
IUPAC Name9,10-dimethyl-3-naphthalen-1-ylphenanthrene
SMILESCc1c(C)c2ccc(-c3cccc4ccccc34)cc2c2ccccc12
InChIInChI=1S/C26H20/c1-17-18(2)22-15-14-20(16-26(22)25-12-6-5-10-21(17)25)24-13-7-9-19-8-3-4-11-23(19)24/h3-16H,1-2H3
InChIKeyDUOMBJMRKSSTAP-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-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
CID 123541562
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene
CID 161163612
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene;2-(5,8-dinaphthalen-2-ylnaphthalen-2-yl)triphenylene;2-(5-naphthalen-1-yl-8-naphthalen-2-ylnaphthalen-2-yl)triphenylene
CID 161163611
2,8-dimethyl-6,12-bis(3-naphthalen-1-ylphenyl)chrysene
CID 59434520
1-(2-methyl-4-naphthalen-1-ylphenyl)naphthalene
CID 145377660
2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene
CID 59638737
7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene
CID 123532546
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 172698241
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583018
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
CID 140792190

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-3-naphthalen-1-ylphenanthrene?
The IUPAC name of 9,10-dimethyl-3-naphthalen-1-ylphenanthrene (CID 158591349) is 9,10-dimethyl-3-naphthalen-1-ylphenanthrene.
What is the SMILES notation for 9,10-dimethyl-3-naphthalen-1-ylphenanthrene?
The canonical SMILES for 9,10-dimethyl-3-naphthalen-1-ylphenanthrene is Cc1c(C)c2ccc(-c3cccc4ccccc34)cc2c2ccccc12.
What is the InChIKey of 9,10-dimethyl-3-naphthalen-1-ylphenanthrene?
The InChIKey is DUOMBJMRKSSTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20/c1-17-18(2)22-15-14-20(16-26(22)25-12-6-5-10-21(17)25)24-13-7-9-19-8-3-4-11-23(19)24/h3-16H,1-2H3.
What are the key properties of 9,10-dimethyl-3-naphthalen-1-ylphenanthrene?
9,10-dimethyl-3-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 9,10-dimethyl-3-naphthalen-1-ylphenanthrene is sourced from PubChem (CID 158591349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).