spiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene]

C25H16 — CID 174027949

IUPACspiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene]
SMILESC1#CCC2=C(C=C1)C1=C(CC=C1)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16/c1-2-9-17-20-12-8-16-24(20)25(21(17)13-3-1)22-14-6-4-10-18(22)19-11-5-7-15-23(19)25/h2,4-12,14-15H,13,16H2
InChIKeyVXXPZWOMQHCSHW-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.48
Rot. Bonds

About spiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene]

spiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene] (PubChem CID 174027949) has the molecular formula C25H16 and a molecular weight of 316.40 g/mol. Its IUPAC name is spiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene].

Molecular Properties

Compound Namespiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene]
PubChem CID174027949
Molecular FormulaC25H16
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Namespiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene]
SMILESC1#CCC2=C(C=C1)C1=C(CC=C1)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16/c1-2-9-17-20-12-8-16-24(20)25(21(17)13-3-1)22-14-6-4-10-18(22)19-11-5-7-15-23(19)25/h2,4-12,14-15H,13,16H2
InChIKeyVXXPZWOMQHCSHW-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze spiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene] with MolForge

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Related Compounds

spiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 58879546
CID 145464381
CID 145464381
2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 156896533
4-N-(6-methylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]-2'-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 145464393
10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene
CID 142527160
ethane;10,10'-spirobi[7H-benzo[a]azulene]
CID 168937553
ethane;(8Z)-2'-methylspiro[7,10-dihydrocycloocta[a]indene-11,10'-7H-benzo[a]azulene]
CID 144876245
2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene]
CID 163286896
4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline
CID 89008919
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene]
CID 155154701
9,9'-spirobi[fluorene]-2',2',7',7'-tetramine
CID 142714030

Frequently Asked Questions

What is the IUPAC name of spiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene]?
The IUPAC name of spiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene] (CID 174027949) is spiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene].
What is the SMILES notation for spiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene]?
The canonical SMILES for spiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene] is C1#CCC2=C(C=C1)C1=C(CC=C1)C21c2ccccc2-c2ccccc21.
What is the InChIKey of spiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene]?
The InChIKey is VXXPZWOMQHCSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16/c1-2-9-17-20-12-8-16-24(20)25(21(17)13-3-1)22-14-6-4-10-18(22)19-11-5-7-15-23(19)25/h2,4-12,14-15H,13,16H2.
What are the key properties of spiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene]?
spiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene] has a molecular weight of 316.40 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-didehydro-1,8-dihydrocyclopenta[a]azulene-9,9'-fluorene] is sourced from PubChem (CID 174027949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).