9-naphthalen-2-yl-2-octylanthracene

C32H32 — CID 174689718

IUPAC9-naphthalen-2-yl-2-octylanthracene
SMILESCCCCCCCCc1ccc2cc3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C32H32/c1-2-3-4-5-6-7-12-24-17-18-28-23-27-15-10-11-16-30(27)32(31(28)21-24)29-20-19-25-13-8-9-14-26(25)22-29/h8-11,13-23H,2-7,12H2,1H3
InChIKeyAVVCLFHTWLKNIQ-UHFFFAOYSA-N
MW416.61 g/mol
LogP9.72
Rot. Bonds8

About 9-naphthalen-2-yl-2-octylanthracene

9-naphthalen-2-yl-2-octylanthracene (PubChem CID 174689718) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is 9-naphthalen-2-yl-2-octylanthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-2-octylanthracene
PubChem CID174689718
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Name9-naphthalen-2-yl-2-octylanthracene
SMILESCCCCCCCCc1ccc2cc3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C32H32/c1-2-3-4-5-6-7-12-24-17-18-28-23-27-15-10-11-16-30(27)32(31(28)21-24)29-20-19-25-13-8-9-14-26(25)22-29/h8-11,13-23H,2-7,12H2,1H3
InChIKeyAVVCLFHTWLKNIQ-UHFFFAOYSA-N
XLogP9.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-naphthalen-2-yl-2-octylanthracene 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

5,11-bis(4-pentylphenyl)tetracene
CID 132571362
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
18-nonylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 123838982
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
CID 142403047
3-(6-octylnaphthalen-2-yl)-2-prop-1-enyl-1-benzofuran
CID 70937762
2-[(E)-docos-6-enyl]naphthalene
CID 101307769
2-[(E)-henicos-13-enyl]naphthalene
CID 101307743
2-[(E)-dodec-5-enyl]naphthalene
CID 101304407
2-butyltetracene
CID 177478805
2-butylpentacene
CID 172754039

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-2-octylanthracene?
The IUPAC name of 9-naphthalen-2-yl-2-octylanthracene (CID 174689718) is 9-naphthalen-2-yl-2-octylanthracene.
What is the SMILES notation for 9-naphthalen-2-yl-2-octylanthracene?
The canonical SMILES for 9-naphthalen-2-yl-2-octylanthracene is CCCCCCCCc1ccc2cc3ccccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 9-naphthalen-2-yl-2-octylanthracene?
The InChIKey is AVVCLFHTWLKNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32/c1-2-3-4-5-6-7-12-24-17-18-28-23-27-15-10-11-16-30(27)32(31(28)21-24)29-20-19-25-13-8-9-14-26(25)22-29/h8-11,13-23H,2-7,12H2,1H3.
What are the key properties of 9-naphthalen-2-yl-2-octylanthracene?
9-naphthalen-2-yl-2-octylanthracene has a molecular weight of 416.61 g/mol, XLogP of 9.72, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-2-octylanthracene is sourced from PubChem (CID 174689718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).