1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]

C30H20 — CID 153412677

IUPAC1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
SMILESCc1cccc2c1C1(c3ccccc3-2)c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C30H20/c1-19-9-8-14-23-22-12-4-6-15-25(22)30(29(19)23)26-16-7-5-13-24(26)28-21-11-3-2-10-20(21)17-18-27(28)30/h2-18H,1H3
InChIKeyIOFHYPMWHDCRIS-UHFFFAOYSA-N
MW380.49 g/mol
LogP7.49
Rot. Bonds

About 1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]

1'-methylspiro[benzo[c]fluorene-7,9'-fluorene] (PubChem CID 153412677) has the molecular formula C30H20 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1'-methylspiro[benzo[c]fluorene-7,9'-fluorene].

Molecular Properties

Compound Name1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
PubChem CID153412677
Molecular FormulaC30H20
Molecular Weight380.49 g/mol
Exact Mass380.16
IUPAC Name1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
SMILESCc1cccc2c1C1(c3ccccc3-2)c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C30H20/c1-19-9-8-14-23-22-12-4-6-15-25(22)30(29(19)23)26-16-7-5-13-24(26)28-21-11-3-2-10-20(21)17-18-27(28)30/h2-18H,1H3
InChIKeyIOFHYPMWHDCRIS-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]?
The IUPAC name of 1'-methylspiro[benzo[c]fluorene-7,9'-fluorene] (CID 153412677) is 1'-methylspiro[benzo[c]fluorene-7,9'-fluorene].
What is the SMILES notation for 1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]?
The canonical SMILES for 1'-methylspiro[benzo[c]fluorene-7,9'-fluorene] is Cc1cccc2c1C1(c3ccccc3-2)c2ccccc2-c2c1ccc1ccccc21.
What is the InChIKey of 1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]?
The InChIKey is IOFHYPMWHDCRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20/c1-19-9-8-14-23-22-12-4-6-15-25(22)30(29(19)23)26-16-7-5-13-24(26)28-21-11-3-2-10-20(21)17-18-27(28)30/h2-18H,1H3.
What are the key properties of 1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]?
1'-methylspiro[benzo[c]fluorene-7,9'-fluorene] has a molecular weight of 380.49 g/mol, XLogP of 7.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[benzo[c]fluorene-7,9'-fluorene] is sourced from PubChem (CID 153412677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).