(18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine

C16H8I2N4S2 — CID 123197189

IUPAC(18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine
SMILESNN=c1c2cc3c(cc2c2sc(I)cc12)c(=NN)c1cc(I)sc13
InChIInChI=1S/C16H8I2N4S2/c17-11-4-10-14(22-20)6-2-8-5(1-7(6)15(10)23-11)13(21-19)9-3-12(18)24-16(8)9/h1-4H,19-20H2
InChIKeyBIXFDGNRQDGSIT-UHFFFAOYSA-N
MW574.21 g/mol
LogP4.06
Rot. Bonds

About (18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine

(18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine (PubChem CID 123197189) has the molecular formula C16H8I2N4S2 and a molecular weight of 574.21 g/mol. Its IUPAC name is (18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine.

Molecular Properties

Compound Name(18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine
PubChem CID123197189
Molecular FormulaC16H8I2N4S2
Molecular Weight574.21 g/mol
Exact Mass573.83
IUPAC Name(18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine
SMILESNN=c1c2cc3c(cc2c2sc(I)cc12)c(=NN)c1cc(I)sc13
InChIInChI=1S/C16H8I2N4S2/c17-11-4-10-14(22-20)6-2-8-5(1-7(6)15(10)23-11)13(21-19)9-3-12(18)24-16(8)9/h1-4H,19-20H2
InChIKeyBIXFDGNRQDGSIT-UHFFFAOYSA-N
XLogP4.06
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.21
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine with MolForge

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Related Compounds

N-[[6,15-diiodo-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline
CID 123270979
6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione
CID 58224393
6,7-diethyl-21-iodo-20-thiadecacyclo[25.6.2.02,11.04,9.012,32.015,31.018,30.019,23.024,29.028,33]pentatriaconta-1(33),2,4,6,8,10,12(32),13,15(31),16,18,21,23,25,27,29,34-heptadecaene
CID 163523967
2,4-diiodo-7-methylsulfanyl-1-benzothiophene
CID 130941735
2-iodothieno[3,2-g][1]benzothiole
CID 144775471
4-(bromomethyl)-7-ethyl-2-iodo-1-benzothiophene
CID 130956704
(7-chloro-2-iodo-1-benzothiophen-4-yl)methanol
CID 131053981
7-chloro-2-iodothieno[3,2-b]pyridin-5-amine
CID 154684744
2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 131145576
2-iodo-4-methylsulfanyl-1-benzothiophene-7-carbonitrile
CID 131029506
4-(bromomethyl)-2-iodo-1-benzothiophene-5-thiol
CID 130792230
2-iodo-7-methylsulfanyl-1-benzothiophen-5-amine
CID 130816712

Frequently Asked Questions

What is the IUPAC name of (18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine?
The IUPAC name of (18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine (CID 123197189) is (18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine.
What is the SMILES notation for (18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine?
The canonical SMILES for (18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine is NN=c1c2cc3c(cc2c2sc(I)cc12)c(=NN)c1cc(I)sc13.
What is the InChIKey of (18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine?
The InChIKey is BIXFDGNRQDGSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8I2N4S2/c17-11-4-10-14(22-20)6-2-8-5(1-7(6)15(10)23-11)13(21-19)9-3-12(18)24-16(8)9/h1-4H,19-20H2.
What are the key properties of (18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine?
(18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine has a molecular weight of 574.21 g/mol, XLogP of 4.06, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (18-hydrazinylidene-6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene)hydrazine is sourced from PubChem (CID 123197189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).