(4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene)

C94H94Br2I4N16S8 — CID 161452893

IUPAC(4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene)
SMILESCCCCCCCCc1ccc(/N=N/c2cc3sc(I)nc3s2)cc1.CCCCCCCCc1ccc(/N=N/c2cc3sc(I)nc3s2)cc1.CCCCc1ccc(/N=N/c2cc3sc(Br)nc3s2)cc1.CCCCc1ccc(/N=N/c2cc3sc(I)nc3s2)cc1.Cc1ccc(/N=N/c2ccc(Br)cc2)cc1.Cc1ccc(/N=N/c2ccc(I)cc2)cc1
InChIInChI=1S/2C19H22IN3S2.C15H14BrN3S2.C15H14IN3S2.C13H11BrN2.C13H11IN2/c2*1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)22-23-17-13-16-18(25-17)21-19(20)24-16;2*1-2-3-4-10-5-7-11(8-6-10)18-19-13-9-12-14(21-13)17-15(16)20-12;2*1-10-2-6-12(7-3-10)15-16-13-8-4-11(14)5-9-13/h2*9-13H,2-8H2,1H3;2*5-9H,2-4H2,1H3;2*2-9H,1H3/b2*23-22+;2*19-18+;2*16-15+
InChIKeyWATOETSTHFFYMX-DCTKNETFSA-N
MW2371.86 g/mol
LogP40.35
Rot. Bonds32

About (4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene)

(4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene) (PubChem CID 161452893) has the molecular formula C94H94Br2I4N16S8 and a molecular weight of 2371.86 g/mol. Its IUPAC name is (4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene).

Molecular Properties

Compound Name(4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene)
PubChem CID161452893
Molecular FormulaC94H94Br2I4N16S8
Molecular Weight2371.86 g/mol
Exact Mass2368.02
IUPAC Name(4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene)
SMILESCCCCCCCCc1ccc(/N=N/c2cc3sc(I)nc3s2)cc1.CCCCCCCCc1ccc(/N=N/c2cc3sc(I)nc3s2)cc1.CCCCc1ccc(/N=N/c2cc3sc(Br)nc3s2)cc1.CCCCc1ccc(/N=N/c2cc3sc(I)nc3s2)cc1.Cc1ccc(/N=N/c2ccc(Br)cc2)cc1.Cc1ccc(/N=N/c2ccc(I)cc2)cc1
InChIInChI=1S/2C19H22IN3S2.C15H14BrN3S2.C15H14IN3S2.C13H11BrN2.C13H11IN2/c2*1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)22-23-17-13-16-18(25-17)21-19(20)24-16;2*1-2-3-4-10-5-7-11(8-6-10)18-19-13-9-12-14(21-13)17-15(16)20-12;2*1-10-2-6-12(7-3-10)15-16-13-8-4-11(14)5-9-13/h2*9-13H,2-8H2,1H3;2*5-9H,2-4H2,1H3;2*2-9H,1H3/b2*23-22+;2*19-18+;2*16-15+
InChIKeyWATOETSTHFFYMX-DCTKNETFSA-N
XLogP40.35
TPSA199.88 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002371.86
LogP ≤ 540.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene) with MolForge

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Related Compounds

bis(4-decylphenyl)diazene
CID 71359462
4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N-methyl-N-[(4-phenylphenyl)methyl]aniline
CID 59348852
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-iodo-4-octadecylbenzene
CID 141122271
1-bromo-4-tetradecylbenzene
CID 71337489
1-methyl-4-octylbenzene
CID 11052746
2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 59147599
4-decyl-2-[(4-methylphenyl)diazenyl]phenol
CID 4606730
2-(4-methylphenyl)-5-(4-octylphenyl)thieno[3,2-b]thiophene
CID 130318443
2-(4-bromophenyl)-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522268
4-[(4-dodecylphenyl)diazenyl]phenol
CID 135625479

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene)?
The IUPAC name of (4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene) (CID 161452893) is (4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene).
What is the SMILES notation for (4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene)?
The canonical SMILES for (4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene) is CCCCCCCCc1ccc(/N=N/c2cc3sc(I)nc3s2)cc1.CCCCCCCCc1ccc(/N=N/c2cc3sc(I)nc3s2)cc1.CCCCc1ccc(/N=N/c2cc3sc(Br)nc3s2)cc1.CCCCc1ccc(/N=N/c2cc3sc(I)nc3s2)cc1.Cc1ccc(/N=N/c2ccc(Br)cc2)cc1.Cc1ccc(/N=N/c2ccc(I)cc2)cc1.
What is the InChIKey of (4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene)?
The InChIKey is WATOETSTHFFYMX-DCTKNETFSA-N. The full InChI is InChI=1S/2C19H22IN3S2.C15H14BrN3S2.C15H14IN3S2.C13H11BrN2.C13H11IN2/c2*1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)22-23-17-13-16-18(25-17)21-19(20)24-16;2*1-2-3-4-10-5-7-11(8-6-10)18-19-13-9-12-14(21-13)17-15(16)20-12;2*1-10-2-6-12(7-3-10)15-16-13-8-4-11(14)5-9-13/h2*9-13H,2-8H2,1H3;2*5-9H,2-4H2,1H3;2*2-9H,1H3/b2*23-22+;2*19-18+;2*16-15+.
What are the key properties of (4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene)?
(4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene) has a molecular weight of 2371.86 g/mol, XLogP of 40.35, 32 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-methylphenyl)diazene;(2-bromothieno[2,3-d][1,3]thiazol-5-yl)-(4-butylphenyl)diazene;(4-butylphenyl)-(2-iodothieno[2,3-d][1,3]thiazol-5-yl)diazene;(4-iodophenyl)-(4-methylphenyl)diazene;bis((2-iodothieno[2,3-d][1,3]thiazol-5-yl)-(4-octylphenyl)diazene) is sourced from PubChem (CID 161452893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).