spiro[3aH-pyrene-1,9'-fluorene]

C28H18 — CID 91355803

IUPACspiro[3aH-pyrene-1,9'-fluorene]
SMILESC1=CC2C=CC3(c4ccccc4-c4ccccc43)c3ccc4cccc1c4c32
InChIInChI=1S/C28H18/c1-3-10-23-21(8-1)22-9-2-4-11-24(22)28(23)17-16-20-13-12-18-6-5-7-19-14-15-25(28)27(20)26(18)19/h1-17,20H
InChIKeyHFKPTSWUMGIWRU-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.83
Rot. Bonds

About spiro[3aH-pyrene-1,9'-fluorene]

spiro[3aH-pyrene-1,9'-fluorene] (PubChem CID 91355803) has the molecular formula C28H18 and a molecular weight of 354.45 g/mol. Its IUPAC name is spiro[3aH-pyrene-1,9'-fluorene].

Molecular Properties

Compound Namespiro[3aH-pyrene-1,9'-fluorene]
PubChem CID91355803
Molecular FormulaC28H18
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Namespiro[3aH-pyrene-1,9'-fluorene]
SMILESC1=CC2C=CC3(c4ccccc4-c4ccccc43)c3ccc4cccc1c4c32
InChIInChI=1S/C28H18/c1-3-10-23-21(8-1)22-9-2-4-11-24(22)28(23)17-16-20-13-12-18-6-5-7-19-14-15-25(28)27(20)26(18)19/h1-17,20H
InChIKeyHFKPTSWUMGIWRU-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.83
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

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CID 101134797
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CID 143817180
3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
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Frequently Asked Questions

What is the IUPAC name of spiro[3aH-pyrene-1,9'-fluorene]?
The IUPAC name of spiro[3aH-pyrene-1,9'-fluorene] (CID 91355803) is spiro[3aH-pyrene-1,9'-fluorene].
What is the SMILES notation for spiro[3aH-pyrene-1,9'-fluorene]?
The canonical SMILES for spiro[3aH-pyrene-1,9'-fluorene] is C1=CC2C=CC3(c4ccccc4-c4ccccc43)c3ccc4cccc1c4c32.
What is the InChIKey of spiro[3aH-pyrene-1,9'-fluorene]?
The InChIKey is HFKPTSWUMGIWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18/c1-3-10-23-21(8-1)22-9-2-4-11-24(22)28(23)17-16-20-13-12-18-6-5-7-19-14-15-25(28)27(20)26(18)19/h1-17,20H.
What are the key properties of spiro[3aH-pyrene-1,9'-fluorene]?
spiro[3aH-pyrene-1,9'-fluorene] has a molecular weight of 354.45 g/mol, XLogP of 6.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3aH-pyrene-1,9'-fluorene] is sourced from PubChem (CID 91355803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).