5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene]

C25H24 — CID 59318759

IUPAC5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene]
SMILESCc1ccc2c(c1)C1(C=CCCCC1)c1cc(C)c3ccccc3c1-2
InChIInChI=1S/C25H24/c1-17-11-12-21-22(15-17)25(13-7-3-4-8-14-25)23-16-18(2)19-9-5-6-10-20(19)24(21)23/h5-7,9-13,15-16H,3-4,8,14H2,1-2H3
InChIKeyJVTPHQUQNDQVLC-UHFFFAOYSA-N
MW324.47 g/mol
LogP6.85
Rot. Bonds

About 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene]

5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene] (PubChem CID 59318759) has the molecular formula C25H24 and a molecular weight of 324.47 g/mol. Its IUPAC name is 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene].

Molecular Properties

Compound Name5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene]
PubChem CID59318759
Molecular FormulaC25H24
Molecular Weight324.47 g/mol
Exact Mass324.19
IUPAC Name5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene]
SMILESCc1ccc2c(c1)C1(C=CCCCC1)c1cc(C)c3ccccc3c1-2
InChIInChI=1S/C25H24/c1-17-11-12-21-22(15-17)25(13-7-3-4-8-14-25)23-16-18(2)19-9-5-6-10-20(19)24(21)23/h5-7,9-13,15-16H,3-4,8,14H2,1-2H3
InChIKeyJVTPHQUQNDQVLC-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 56.85
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

(1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene]
CID 59318731
5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 160874202
5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene]
CID 59318742
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
1-(2,4-dimethylphenyl)-2,4-dimethylnaphthalene
CID 143438685
spiro[cycloheptene-3,9'-fluorene]
CID 134848598
9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 59243882
7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene
CID 140661825
5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene
CID 144663219
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-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene
CID 142714191
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'-cycloheptene]?
The IUPAC name of 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene] (CID 59318759) is 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene].
What is the SMILES notation for 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene]?
The canonical SMILES for 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene] is Cc1ccc2c(c1)C1(C=CCCCC1)c1cc(C)c3ccccc3c1-2.
What is the InChIKey of 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene]?
The InChIKey is JVTPHQUQNDQVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24/c1-17-11-12-21-22(15-17)25(13-7-3-4-8-14-25)23-16-18(2)19-9-5-6-10-20(19)24(21)23/h5-7,9-13,15-16H,3-4,8,14H2,1-2H3.
What are the key properties of 5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene]?
5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene] has a molecular weight of 324.47 g/mol, XLogP of 6.85, 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'-cycloheptene] is sourced from PubChem (CID 59318759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).