2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene]

C36H30 — CID 159574757

IUPAC2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene]
SMILESCc1cc(C)cc(Cc2ccc3c(c2)C2(c4ccccc4Cc4ccccc42)c2cccc(C)c2-3)c1
InChIInChI=1S/C36H30/c1-23-17-24(2)19-27(18-23)20-26-15-16-30-34(21-26)36(33-14-8-9-25(3)35(30)33)31-12-6-4-10-28(31)22-29-11-5-7-13-32(29)36/h4-19,21H,20,22H2,1-3H3
InChIKeyURRPBECRGFBPKE-UHFFFAOYSA-N
MW462.64 g/mol
LogP8.47
Rot. Bonds2

About 2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene]

2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene] (PubChem CID 159574757) has the molecular formula C36H30 and a molecular weight of 462.64 g/mol. Its IUPAC name is 2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene].

Molecular Properties

Compound Name2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene]
PubChem CID159574757
Molecular FormulaC36H30
Molecular Weight462.64 g/mol
Exact Mass462.23
IUPAC Name2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene]
SMILESCc1cc(C)cc(Cc2ccc3c(c2)C2(c4ccccc4Cc4ccccc42)c2cccc(C)c2-3)c1
InChIInChI=1S/C36H30/c1-23-17-24(2)19-27(18-23)20-26-15-16-30-34(21-26)36(33-14-8-9-25(3)35(30)33)31-12-6-4-10-28(31)22-29-11-5-7-13-32(29)36/h4-19,21H,20,22H2,1-3H3
InChIKeyURRPBECRGFBPKE-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene]
CID 159068130
1',8'-dimethylspiro[9H-anthracene-10,9'-fluorene];2',7'-dimethylspiro[9H-anthracene-10,9'-fluorene];3',6'-dimethylspiro[9H-anthracene-10,9'-fluorene];4',5'-dimethylspiro[9H-anthracene-10,9'-fluorene];4,5-dimethylspiro[9H-anthracene-10,9'-fluorene];ethane
CID 160522820
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane
CID 161481336
5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine
CID 129311002
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
9',17'-dimethylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 160896143
1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane
CID 160791086
3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole
CID 158159121
3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene]
CID 142293757
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919

Frequently Asked Questions

What is the IUPAC name of 2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene]?
The IUPAC name of 2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene] (CID 159574757) is 2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene].
What is the SMILES notation for 2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene]?
The canonical SMILES for 2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene] is Cc1cc(C)cc(Cc2ccc3c(c2)C2(c4ccccc4Cc4ccccc42)c2cccc(C)c2-3)c1.
What is the InChIKey of 2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene]?
The InChIKey is URRPBECRGFBPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30/c1-23-17-24(2)19-27(18-23)20-26-15-16-30-34(21-26)36(33-14-8-9-25(3)35(30)33)31-12-6-4-10-28(31)22-29-11-5-7-13-32(29)36/h4-19,21H,20,22H2,1-3H3.
What are the key properties of 2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene]?
2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene] has a molecular weight of 462.64 g/mol, XLogP of 8.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene] is sourced from PubChem (CID 159574757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).