5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene]

C24H20 — CID 59318742

IUPAC5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene]
SMILESCc1ccc2c(c1)C1(C=CCC=C1)c1cc(C)c3ccccc3c1-2
InChIInChI=1S/C24H20/c1-16-10-11-20-21(14-16)24(12-6-3-7-13-24)22-15-17(2)18-8-4-5-9-19(18)23(20)22/h4-15H,3H2,1-2H3
InChIKeyRBVZDWQFCKVQGP-UHFFFAOYSA-N
MW308.42 g/mol
LogP6.24
Rot. Bonds

About 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene]

5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene] (PubChem CID 59318742) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene].

Molecular Properties

Compound Name5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene]
PubChem CID59318742
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene]
SMILESCc1ccc2c(c1)C1(C=CCC=C1)c1cc(C)c3ccccc3c1-2
InChIInChI=1S/C24H20/c1-16-10-11-20-21(14-16)24(12-6-3-7-13-24)22-15-17(2)18-8-4-5-9-19(18)23(20)22/h4-15H,3H2,1-2H3
InChIKeyRBVZDWQFCKVQGP-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene]
CID 59318759
1-(2,4-dimethylphenyl)-2,4-dimethylnaphthalene
CID 143438685
7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene
CID 140661825
5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane
CID 158732726
5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene
CID 144663219
9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 59243882
5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene
CID 142714191
5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 134240897
7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene
CID 144614028
4-methyl-N-(4-methylphenyl)-N-[4-[9,19,22,22-tetramethyl-12-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-12-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl]phenyl]aniline
CID 90244035
1,2-dimethyl-3-(2-methylphenyl)benzene;ethane;1-methyl-9H-fluorene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5,7,7,9-tetramethylbenzo[c]fluorene
CID 144613590

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene]?
The IUPAC name of 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene] (CID 59318742) is 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene].
What is the SMILES notation for 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene]?
The canonical SMILES for 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene] is Cc1ccc2c(c1)C1(C=CCC=C1)c1cc(C)c3ccccc3c1-2.
What is the InChIKey of 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene]?
The InChIKey is RBVZDWQFCKVQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20/c1-16-10-11-20-21(14-16)24(12-6-3-7-13-24)22-15-17(2)18-8-4-5-9-19(18)23(20)22/h4-15H,3H2,1-2H3.
What are the key properties of 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene]?
5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene] has a molecular weight of 308.42 g/mol, XLogP of 6.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene] is sourced from PubChem (CID 59318742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).