9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene

C32H24 — CID 142403047

IUPAC9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
SMILESCCc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C32H24/c1-2-22-15-17-24(18-16-22)31-27-11-5-7-13-29(27)32(30-14-8-6-12-28(30)31)26-20-19-23-9-3-4-10-25(23)21-26/h3-21H,2H2,1H3
InChIKeyVOBTZBCDNWZGLT-UHFFFAOYSA-N
MW408.54 g/mol
LogP9.04
Rot. Bonds3

About 9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene

9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene (PubChem CID 142403047) has the molecular formula C32H24 and a molecular weight of 408.54 g/mol. Its IUPAC name is 9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
PubChem CID142403047
Molecular FormulaC32H24
Molecular Weight408.54 g/mol
Exact Mass408.19
IUPAC Name9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
SMILESCCc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C32H24/c1-2-22-15-17-24(18-16-22)31-27-11-5-7-13-29(27)32(30-14-8-6-12-28(30)31)26-20-19-23-9-3-4-10-25(23)21-26/h3-21H,2H2,1H3
InChIKeyVOBTZBCDNWZGLT-UHFFFAOYSA-N
XLogP9.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-10-naphthalen-2-ylanthracene
CID 143444762
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554561
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene
CID 144837246

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene (CID 142403047) is 9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene is CCc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of 9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene?
The InChIKey is VOBTZBCDNWZGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24/c1-2-22-15-17-24(18-16-22)31-27-11-5-7-13-29(27)32(30-14-8-6-12-28(30)31)26-20-19-23-9-3-4-10-25(23)21-26/h3-21H,2H2,1H3.
What are the key properties of 9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene?
9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene has a molecular weight of 408.54 g/mol, XLogP of 9.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 142403047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).