13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

C22H16I2Te — CID 134881865

IUPAC13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESI[Te]1(I)Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1
InChIInChI=1S/C22H16I2Te/c23-25(24)13-17-11-9-15-5-1-3-7-19(15)21(17)22-18(14-25)12-10-16-6-2-4-8-20(16)22/h1-12H,13-14H2
InChIKeyDKAWDYRPXAFWCN-UHFFFAOYSA-N
MW661.78 g/mol
LogP7.15
Rot. Bonds

About 13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (PubChem CID 134881865) has the molecular formula C22H16I2Te and a molecular weight of 661.78 g/mol. Its IUPAC name is 13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.

Molecular Properties

Compound Name13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
PubChem CID134881865
Molecular FormulaC22H16I2Te
Molecular Weight661.78 g/mol
Exact Mass663.84
IUPAC Name13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESI[Te]1(I)Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1
InChIInChI=1S/C22H16I2Te/c23-25(24)13-17-11-9-15-5-1-3-7-19(15)21(17)22-18(14-25)12-10-16-6-2-4-8-20(16)22/h1-12H,13-14H2
InChIKeyDKAWDYRPXAFWCN-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.78
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene with MolForge

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Related Compounds

pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
13-methyl-13-silapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 100921438
13λ4-selenapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 10523489
13-phenyl-13-arsapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 101214008
13-methyl-13-sulfanylidene-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 21052126
13-(disulfanyl)-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 134201512
9-azapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 177485700
N,N-diethyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
CID 11280547
13-methyl-13-phenyl-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 18929281
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
3H-cyclopenta[a]naphthalene-1,2-dione
CID 67055632

Frequently Asked Questions

What is the IUPAC name of 13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The IUPAC name of 13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (CID 134881865) is 13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.
What is the SMILES notation for 13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The canonical SMILES for 13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is I[Te]1(I)Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1.
What is the InChIKey of 13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The InChIKey is DKAWDYRPXAFWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16I2Te/c23-25(24)13-17-11-9-15-5-1-3-7-19(15)21(17)22-18(14-25)12-10-16-6-2-4-8-20(16)22/h1-12H,13-14H2.
What are the key properties of 13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene has a molecular weight of 661.78 g/mol, XLogP of 7.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is sourced from PubChem (CID 134881865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).