5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene

C40H26 — CID 91116321

IUPAC5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
SMILESC=Cc1ccc(-c2ccc3c(c2)-c2ccc(-c4ccccc4)c4cc5cccc(-c6ccccc6)c5c-3c24)cc1
InChIInChI=1S/C40H26/c1-2-26-16-18-27(19-17-26)30-20-21-35-36(24-30)34-23-22-32(28-10-5-3-6-11-28)37-25-31-14-9-15-33(29-12-7-4-8-13-29)38(31)40(35)39(34)37/h2-25H,1H2
InChIKeyCCQHZFXIACYSDT-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.28
Rot. Bonds4

About 5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene

5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene (PubChem CID 91116321) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene.

Molecular Properties

Compound Name5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
PubChem CID91116321
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
SMILESC=Cc1ccc(-c2ccc3c(c2)-c2ccc(-c4ccccc4)c4cc5cccc(-c6ccccc6)c5c-3c24)cc1
InChIInChI=1S/C40H26/c1-2-26-16-18-27(19-17-26)30-20-21-35-36(24-30)34-23-22-32(28-10-5-3-6-11-28)37-25-31-14-9-15-33(29-12-7-4-8-13-29)38(31)40(35)39(34)37/h2-25H,1H2
InChIKeyCCQHZFXIACYSDT-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?
The IUPAC name of 5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene (CID 91116321) is 5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene.
What is the SMILES notation for 5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?
The canonical SMILES for 5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene is C=Cc1ccc(-c2ccc3c(c2)-c2ccc(-c4ccccc4)c4cc5cccc(-c6ccccc6)c5c-3c24)cc1.
What is the InChIKey of 5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?
The InChIKey is CCQHZFXIACYSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-2-26-16-18-27(19-17-26)30-20-21-35-36(24-30)34-23-22-32(28-10-5-3-6-11-28)37-25-31-14-9-15-33(29-12-7-4-8-13-29)38(31)40(35)39(34)37/h2-25H,1H2.
What are the key properties of 5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?
5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene has a molecular weight of 506.65 g/mol, XLogP of 11.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene is sourced from PubChem (CID 91116321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).