5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]

C31H26 — CID 147955963

IUPAC5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
SMILESCCc1ccc2c(c1)C1(c3cc(CC)ccc3C=C2)c2ccccc2-c2ccccc21
InChIInChI=1S/C31H26/c1-3-21-13-15-23-17-18-24-16-14-22(4-2)20-30(24)31(29(23)19-21)27-11-7-5-9-25(27)26-10-6-8-12-28(26)31/h5-20H,3-4H2,1-2H3
InChIKeyIONOILBUOSSZEL-UHFFFAOYSA-N
MW398.55 g/mol
LogP7.66
Rot. Bonds2

About 5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]

5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] (PubChem CID 147955963) has the molecular formula C31H26 and a molecular weight of 398.55 g/mol. Its IUPAC name is 5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene].

Molecular Properties

Compound Name5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
PubChem CID147955963
Molecular FormulaC31H26
Molecular Weight398.55 g/mol
Exact Mass398.20
IUPAC Name5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
SMILESCCc1ccc2c(c1)C1(c3cc(CC)ccc3C=C2)c2ccccc2-c2ccccc21
InChIInChI=1S/C31H26/c1-3-21-13-15-23-17-18-24-16-14-22(4-2)20-30(24)31(29(23)19-21)27-11-7-5-9-25(27)26-10-6-8-12-28(26)31/h5-20H,3-4H2,1-2H3
InChIKeyIONOILBUOSSZEL-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] with MolForge

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Related Compounds

2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
5-bromo-2-ethyl-9,9'-spirobi[fluorene]
CID 142521287
5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine
CID 102322828
9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542
N-[[2,7'-bis(diethylaminomethyl)-9,9'-spirobi[fluorene]-2'-yl]methyl]-N-ethylethanamine
CID 122543015
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
2',7'-diethylspiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]
CID 122504097
6-ethyl-10-methylspiro[1,2-dihydroacridine-9,9'-fluorene]
CID 130462116
2,7-diethyl-9,9-difluorofluorene
CID 67522725
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177067096
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260790
2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395

Frequently Asked Questions

What is the IUPAC name of 5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]?
The IUPAC name of 5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] (CID 147955963) is 5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene].
What is the SMILES notation for 5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]?
The canonical SMILES for 5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] is CCc1ccc2c(c1)C1(c3cc(CC)ccc3C=C2)c2ccccc2-c2ccccc21.
What is the InChIKey of 5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]?
The InChIKey is IONOILBUOSSZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26/c1-3-21-13-15-23-17-18-24-16-14-22(4-2)20-30(24)31(29(23)19-21)27-11-7-5-9-25(27)26-10-6-8-12-28(26)31/h5-20H,3-4H2,1-2H3.
What are the key properties of 5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]?
5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] has a molecular weight of 398.55 g/mol, XLogP of 7.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] is sourced from PubChem (CID 147955963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).