3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene

C70H94 — CID 91012310

IUPAC3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene
SMILESC1=CC=CC(C2(C3=CC=CC=CCC3)C(C3=CCCCCCCC3)=C(C3=CC=CCCCCC3)C(C3=CCCCCCCCC3)=CCCCCC2(C2=CC=CCCCC2)C2=CCCCCCC2)=CC=C1
InChIInChI=1S/C70H94/c1-2-12-27-43-59(44-28-13-3-1)66-57-41-26-42-58-69(62-49-33-18-8-19-34-50-62,63-51-35-20-9-21-36-52-63)70(64-53-37-22-10-23-38-54-64,65-55-39-24-11-25-40-56-65)68(61-47-31-16-6-7-17-32-48-61)67(66)60-45-29-14-4-5-15-30-46-60/h10-11,14,18,22-25,29,33,37-39,43,45,47,49,51,53-55,57H,1-9,12-13,15-17,19-21,26-28,30-32,34-36,40-42,44,46,48,50,52,56,58H2
InChIKeyYDFWGILODOVOLN-UHFFFAOYSA-N
MW935.52 g/mol
LogP21.71
Rot. Bonds7

About 3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene

3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene (PubChem CID 91012310) has the molecular formula C70H94 and a molecular weight of 935.52 g/mol. Its IUPAC name is 3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene.

Molecular Properties

Compound Name3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene
PubChem CID91012310
Molecular FormulaC70H94
Molecular Weight935.52 g/mol
Exact Mass934.74
IUPAC Name3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene
SMILESC1=CC=CC(C2(C3=CC=CC=CCC3)C(C3=CCCCCCCC3)=C(C3=CC=CCCCCC3)C(C3=CCCCCCCCC3)=CCCCCC2(C2=CC=CCCCC2)C2=CCCCCCC2)=CC=C1
InChIInChI=1S/C70H94/c1-2-12-27-43-59(44-28-13-3-1)66-57-41-26-42-58-69(62-49-33-18-8-19-34-50-62,63-51-35-20-9-21-36-52-63)70(64-53-37-22-10-23-38-54-64,65-55-39-24-11-25-40-56-65)68(61-47-31-16-6-7-17-32-48-61)67(66)60-45-29-14-4-5-15-30-46-60/h10-11,14,18,22-25,29,33,37-39,43,45,47,49,51,53-55,57H,1-9,12-13,15-17,19-21,26-28,30-32,34-36,40-42,44,46,48,50,52,56,58H2
InChIKeyYDFWGILODOVOLN-UHFFFAOYSA-N
XLogP21.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.52
LogP ≤ 521.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene?
The IUPAC name of 3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene (CID 91012310) is 3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene.
What is the SMILES notation for 3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene?
The canonical SMILES for 3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene is C1=CC=CC(C2(C3=CC=CC=CCC3)C(C3=CCCCCCCC3)=C(C3=CC=CCCCCC3)C(C3=CCCCCCCCC3)=CCCCCC2(C2=CC=CCCCC2)C2=CCCCCCC2)=CC=C1.
What is the InChIKey of 3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene?
The InChIKey is YDFWGILODOVOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H94/c1-2-12-27-43-59(44-28-13-3-1)66-57-41-26-42-58-69(62-49-33-18-8-19-34-50-62,63-51-35-20-9-21-36-52-63)70(64-53-37-22-10-23-38-54-64,65-55-39-24-11-25-40-56-65)68(61-47-31-16-6-7-17-32-48-61)67(66)60-45-29-14-4-5-15-30-46-60/h10-11,14,18,22-25,29,33,37-39,43,45,47,49,51,53-55,57H,1-9,12-13,15-17,19-21,26-28,30-32,34-36,40-42,44,46,48,50,52,56,58H2.
What are the key properties of 3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene?
3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene has a molecular weight of 935.52 g/mol, XLogP of 21.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclodecen-1-yl)-2-cyclonona-1,3-dien-1-yl-1-(cyclononen-1-yl)-9-cycloocta-1,3-dien-1-yl-10-(cyclooctatetraenyl)-10-cycloocta-1,3,5-trien-1-yl-9-(cycloocten-1-yl)cyclodeca-1,3-diene is sourced from PubChem (CID 91012310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).