9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene

C50H32 — CID 74006503

IUPAC9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
SMILESC(=C1c2cc(-c3ccccc3)ccc2-c2c1ccc1c3c(ccc21)C(=Cc1ccccc1)c1cc(-c2ccccc2)ccc1-3)c1ccccc1
InChIInChI=1S/C50H32/c1-5-13-33(14-6-1)29-45-43-27-25-40-39(49(43)41-23-21-37(31-47(41)45)35-17-9-3-10-18-35)26-28-44-46(30-34-15-7-2-8-16-34)48-32-38(22-24-42(48)50(40)44)36-19-11-4-12-20-36/h1-32H
InChIKeyZUNIKZVELORBEU-UHFFFAOYSA-N
MW632.81 g/mol
LogP13.31
Rot. Bonds4

About 9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene

9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene (PubChem CID 74006503) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene.

Molecular Properties

Compound Name9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
PubChem CID74006503
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
SMILESC(=C1c2cc(-c3ccccc3)ccc2-c2c1ccc1c3c(ccc21)C(=Cc1ccccc1)c1cc(-c2ccccc2)ccc1-3)c1ccccc1
InChIInChI=1S/C50H32/c1-5-13-33(14-6-1)29-45-43-27-25-40-39(49(43)41-23-21-37(31-47(41)45)35-17-9-3-10-18-35)26-28-44-46(30-34-15-7-2-8-16-34)48-32-38(22-24-42(48)50(40)44)36-19-11-4-12-20-36/h1-32H
InChIKeyZUNIKZVELORBEU-UHFFFAOYSA-N
XLogP13.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene with MolForge

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Related Compounds

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3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol
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Frequently Asked Questions

What is the IUPAC name of 9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene?
The IUPAC name of 9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene (CID 74006503) is 9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene.
What is the SMILES notation for 9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene?
The canonical SMILES for 9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene is C(=C1c2cc(-c3ccccc3)ccc2-c2c1ccc1c3c(ccc21)C(=Cc1ccccc1)c1cc(-c2ccccc2)ccc1-3)c1ccccc1.
What is the InChIKey of 9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene?
The InChIKey is ZUNIKZVELORBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-5-13-33(14-6-1)29-45-43-27-25-40-39(49(43)41-23-21-37(31-47(41)45)35-17-9-3-10-18-35)26-28-44-46(30-34-15-7-2-8-16-34)48-32-38(22-24-42(48)50(40)44)36-19-11-4-12-20-36/h1-32H.
What are the key properties of 9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene?
9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene has a molecular weight of 632.81 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene is sourced from PubChem (CID 74006503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).