2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene

C50H24 — CID 59805094

IUPAC2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene
SMILESc1cc2ccc(-c3cc4ccc5ccc6ccc7ccc3c3c7c6c5c43)cc2cc1-c1cc2ccc3ccc4ccc5ccc1c1c5c4c3c21
InChIInChI=1S/C50H24/c1-13-32(39-23-34-15-11-28-5-3-26-7-9-30-17-19-37(39)49-45(30)41(26)43(28)47(34)49)21-36-22-33(14-2-25(1)36)40-24-35-16-12-29-6-4-27-8-10-31-18-20-38(40)50-46(31)42(27)44(29)48(35)50/h1-24H
InChIKeyOKBRPKOABPFVLW-UHFFFAOYSA-N
MW624.74 g/mol
LogP14.33
Rot. Bonds2

About 2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene

2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene (PubChem CID 59805094) has the molecular formula C50H24 and a molecular weight of 624.74 g/mol. Its IUPAC name is 2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene.

Molecular Properties

Compound Name2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene
PubChem CID59805094
Molecular FormulaC50H24
Molecular Weight624.74 g/mol
Exact Mass624.19
IUPAC Name2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene
SMILESc1cc2ccc(-c3cc4ccc5ccc6ccc7ccc3c3c7c6c5c43)cc2cc1-c1cc2ccc3ccc4ccc5ccc1c1c5c4c3c21
InChIInChI=1S/C50H24/c1-13-32(39-23-34-15-11-28-5-3-26-7-9-30-17-19-37(39)49-45(30)41(26)43(28)47(34)49)21-36-22-33(14-2-25(1)36)40-24-35-16-12-29-6-4-27-8-10-31-18-20-38(40)50-46(31)42(27)44(29)48(35)50/h1-24H
InChIKeyOKBRPKOABPFVLW-UHFFFAOYSA-N
XLogP14.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene?
The IUPAC name of 2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene (CID 59805094) is 2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene.
What is the SMILES notation for 2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene?
The canonical SMILES for 2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene is c1cc2ccc(-c3cc4ccc5ccc6ccc7ccc3c3c7c6c5c43)cc2cc1-c1cc2ccc3ccc4ccc5ccc1c1c5c4c3c21.
What is the InChIKey of 2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene?
The InChIKey is OKBRPKOABPFVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H24/c1-13-32(39-23-34-15-11-28-5-3-26-7-9-30-17-19-37(39)49-45(30)41(26)43(28)47(34)49)21-36-22-33(14-2-25(1)36)40-24-35-16-12-29-6-4-27-8-10-31-18-20-38(40)50-46(31)42(27)44(29)48(35)50/h1-24H.
What are the key properties of 2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene?
2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene has a molecular weight of 624.74 g/mol, XLogP of 14.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene is sourced from PubChem (CID 59805094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).