21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene

C44H24I2 — CID 154721572

IUPAC21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
SMILESIc1c(-c2c(I)c3ccccc3c3ccc4ccc5ccccc5c4c23)c2c(ccc3ccc4ccccc4c32)c2ccccc12
InChIInChI=1S/C44H24I2/c45-43-35-15-7-5-13-31(35)33-23-21-27-19-17-25-9-1-3-11-29(25)37(27)39(33)41(43)42-40-34(32-14-6-8-16-36(32)44(42)46)24-22-28-20-18-26-10-2-4-12-30(26)38(28)40/h1-24H
InChIKeyJQMVLTJXFJOAKG-UHFFFAOYSA-N
MW806.48 g/mol
LogP13.79
Rot. Bonds1

About 21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene

21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene (PubChem CID 154721572) has the molecular formula C44H24I2 and a molecular weight of 806.48 g/mol. Its IUPAC name is 21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
PubChem CID154721572
Molecular FormulaC44H24I2
Molecular Weight806.48 g/mol
Exact Mass806.00
IUPAC Name21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
SMILESIc1c(-c2c(I)c3ccccc3c3ccc4ccc5ccccc5c4c23)c2c(ccc3ccc4ccccc4c32)c2ccccc12
InChIInChI=1S/C44H24I2/c45-43-35-15-7-5-13-31(35)33-23-21-27-19-17-25-9-1-3-11-29(25)37(27)39(33)41(43)42-40-34(32-14-6-8-16-36(32)44(42)46)24-22-28-20-18-26-10-2-4-12-30(26)38(28)40/h1-24H
InChIKeyJQMVLTJXFJOAKG-UHFFFAOYSA-N
XLogP13.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.48
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene with MolForge

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heptacyclo[16.12.0.02,15.03,12.04,9.020,29.021,26]triaconta-1(30),2(15),3(12),4,6,8,10,13,16,18,20(29),21,23,25,27-pentadecaene
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CID 164666450

Frequently Asked Questions

What is the IUPAC name of 21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The IUPAC name of 21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene (CID 154721572) is 21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene.
What is the SMILES notation for 21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The canonical SMILES for 21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene is Ic1c(-c2c(I)c3ccccc3c3ccc4ccc5ccccc5c4c23)c2c(ccc3ccc4ccccc4c32)c2ccccc12.
What is the InChIKey of 21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The InChIKey is JQMVLTJXFJOAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24I2/c45-43-35-15-7-5-13-31(35)33-23-21-27-19-17-25-9-1-3-11-29(25)37(27)39(33)41(43)42-40-34(32-14-6-8-16-36(32)44(42)46)24-22-28-20-18-26-10-2-4-12-30(26)38(28)40/h1-24H.
What are the key properties of 21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene has a molecular weight of 806.48 g/mol, XLogP of 13.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene is sourced from PubChem (CID 154721572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).