3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene]

C37H32 — CID 159068130

IUPAC3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene]
SMILESCCc1cccc2c1-c1cc(Cc3cc(C)cc(C)c3)ccc1C21c2ccccc2Cc2ccccc21
InChIInChI=1S/C37H32/c1-4-28-12-9-15-35-36(28)31-22-26(21-27-19-24(2)18-25(3)20-27)16-17-34(31)37(35)32-13-7-5-10-29(32)23-30-11-6-8-14-33(30)37/h5-20,22H,4,21,23H2,1-3H3
InChIKeyOOZSLHXNONVYOI-UHFFFAOYSA-N
MW476.66 g/mol
LogP8.72
Rot. Bonds3

About 3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene]

3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene] (PubChem CID 159068130) has the molecular formula C37H32 and a molecular weight of 476.66 g/mol. Its IUPAC name is 3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene].

Molecular Properties

Compound Name3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene]
PubChem CID159068130
Molecular FormulaC37H32
Molecular Weight476.66 g/mol
Exact Mass476.25
IUPAC Name3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene]
SMILESCCc1cccc2c1-c1cc(Cc3cc(C)cc(C)c3)ccc1C21c2ccccc2Cc2ccccc21
InChIInChI=1S/C37H32/c1-4-28-12-9-15-35-36(28)31-22-26(21-27-19-24(2)18-25(3)20-27)16-17-34(31)37(35)32-13-7-5-10-29(32)23-30-11-6-8-14-33(30)37/h5-20,22H,4,21,23H2,1-3H3
InChIKeyOOZSLHXNONVYOI-UHFFFAOYSA-N
XLogP8.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene]?
The IUPAC name of 3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene] (CID 159068130) is 3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene].
What is the SMILES notation for 3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene]?
The canonical SMILES for 3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene] is CCc1cccc2c1-c1cc(Cc3cc(C)cc(C)c3)ccc1C21c2ccccc2Cc2ccccc21.
What is the InChIKey of 3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene]?
The InChIKey is OOZSLHXNONVYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32/c1-4-28-12-9-15-35-36(28)31-22-26(21-27-19-24(2)18-25(3)20-27)16-17-34(31)37(35)32-13-7-5-10-29(32)23-30-11-6-8-14-33(30)37/h5-20,22H,4,21,23H2,1-3H3.
What are the key properties of 3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene]?
3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene] has a molecular weight of 476.66 g/mol, XLogP of 8.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene] is sourced from PubChem (CID 159068130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).