9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene

C36H26 — CID 159616187

IUPAC9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene
SMILESCCc1c2ccccc2c(-c2ccc(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12
InChIInChI=1S/C36H26/c1-2-27-29-13-7-9-17-33(29)36(34-18-10-8-14-30(27)34)35-22-21-28(31-15-5-6-16-32(31)35)26-20-19-24-11-3-4-12-25(24)23-26/h3-23H,2H2,1H3
InChIKeyBALXNBPUXZQPGS-UHFFFAOYSA-N
MW458.60 g/mol
LogP10.20
Rot. Bonds3

About 9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene

9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene (PubChem CID 159616187) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is 9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene
PubChem CID159616187
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene
SMILESCCc1c2ccccc2c(-c2ccc(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12
InChIInChI=1S/C36H26/c1-2-27-29-13-7-9-17-33(29)36(34-18-10-8-14-30(27)34)35-22-21-28(31-15-5-6-16-32(31)35)26-20-19-24-11-3-4-12-25(24)23-26/h3-23H,2H2,1H3
InChIKeyBALXNBPUXZQPGS-UHFFFAOYSA-N
XLogP10.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-ethyl-10-naphthalen-2-ylanthracene
CID 143444762
9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 123218552
2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol
CID 170045754
ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 157325912
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene
CID 58323203
9-phenyl-10-[4-(6-phenylnaphthalen-2-yl)naphthalen-1-yl]anthracene
CID 142699645
9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene
CID 143913988
9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene
CID 161123481

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene (CID 159616187) is 9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene is CCc1c2ccccc2c(-c2ccc(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12.
What is the InChIKey of 9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene?
The InChIKey is BALXNBPUXZQPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26/c1-2-27-29-13-7-9-17-33(29)36(34-18-10-8-14-30(27)34)35-22-21-28(31-15-5-6-16-32(31)35)26-20-19-24-11-3-4-12-25(24)23-26/h3-23H,2H2,1H3.
What are the key properties of 9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene?
9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene has a molecular weight of 458.60 g/mol, XLogP of 10.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 159616187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).