8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene

C24H10I2S3 — CID 166787448

IUPAC8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene
SMILESIc1cc2sc3cc4c(cc3c2cc1I)sc1cc2c(cc14)sc1ccccc12
InChIInChI=1S/C24H10I2S3/c25-17-5-12-14-7-23-16(9-22(14)29-24(12)10-18(17)26)15-8-20-13(6-21(15)28-23)11-3-1-2-4-19(11)27-20/h1-10H
InChIKeyRFHOXQUHAQDTDP-UHFFFAOYSA-N
MW648.35 g/mol
LogP10.00
Rot. Bonds

About 8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene

8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene (PubChem CID 166787448) has the molecular formula C24H10I2S3 and a molecular weight of 648.35 g/mol. Its IUPAC name is 8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene.

Molecular Properties

Compound Name8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene
PubChem CID166787448
Molecular FormulaC24H10I2S3
Molecular Weight648.35 g/mol
Exact Mass647.80
IUPAC Name8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene
SMILESIc1cc2sc3cc4c(cc3c2cc1I)sc1cc2c(cc14)sc1ccccc12
InChIInChI=1S/C24H10I2S3/c25-17-5-12-14-7-23-16(9-22(14)29-24(12)10-18(17)26)15-8-20-13(6-21(15)28-23)11-3-1-2-4-19(11)27-20/h1-10H
InChIKeyRFHOXQUHAQDTDP-UHFFFAOYSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.35
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene with MolForge

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Related Compounds

3-iododibenzothiophene
CID 86150547
dibenzothiophene;methane
CID 162233710
bis(dibenzothiophene);ethane
CID 143921746
2-(4-iodophenyl)dibenzothiophene
CID 118465203
[3-(hydroxymethyl)dibenzothiophen-2-yl]methanol
CID 135080491
dibenzothiophene;formaldehyde
CID 20556925
3-(3-iodophenyl)dibenzothiophene
CID 156570976
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole
CID 126517447
N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine
CID 163458255
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
7-iodo-[1]benzothiolo[2,3-b]carbazole
CID 126517461

Frequently Asked Questions

What is the IUPAC name of 8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene?
The IUPAC name of 8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene (CID 166787448) is 8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene.
What is the SMILES notation for 8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene?
The canonical SMILES for 8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene is Ic1cc2sc3cc4c(cc3c2cc1I)sc1cc2c(cc14)sc1ccccc12.
What is the InChIKey of 8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene?
The InChIKey is RFHOXQUHAQDTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10I2S3/c25-17-5-12-14-7-23-16(9-22(14)29-24(12)10-18(17)26)15-8-20-13(6-21(15)28-23)11-3-1-2-4-19(11)27-20/h1-10H.
What are the key properties of 8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene?
8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene has a molecular weight of 648.35 g/mol, XLogP of 10.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene is sourced from PubChem (CID 166787448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).