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

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

2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene]
CID 159574757
3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole
CID 158159121
N,N-dimethyl-1-spiro[9H-anthracene-10,9'-fluorene]-3'-ylmethanamine;N,N-dimethyl-1-spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethanamine;1-(9,9-diphenyl-10H-anthracen-2-yl)-N,N-dimethylmethanamine;1-(10,10-diphenyl-9H-anthracen-1-yl)-N,N-dimethylmethanamine;1-(10,10-diphenyl-9H-anthracen-2-yl)-N,N-dimethylmethanamine
CID 158995010
5'-benzyl-3',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142480511
5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine
CID 129311002
5-ethyl-3-methyl-9H-fluorene
CID 145007072
3'-benzyl-5'-(cyclohexa-2,4-dien-1-ylmethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142480319
3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene]
CID 142293757
[5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine
CID 142480538
6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene
CID 158506002
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
2-[(3,5-diethylphenyl)methyl]-9H-fluorene
CID 167699473

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).