N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine

C28H21N5S — CID 165022601

IUPACN-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine
SMILESCc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=C/c4cccs4)c4ccccc34)cc2)cc1
InChIInChI=1S/C28H21N5S/c1-20-8-10-21(11-9-20)30-31-22-12-14-23(15-13-22)32-33-28-17-16-27(25-6-2-3-7-26(25)28)29-19-24-5-4-18-34-24/h2-19H,1H3/b29-19+,31-30+,33-32+
InChIKeyLJWPPYKNHPBIIT-ZIPSXRONSA-N
MW459.58 g/mol
LogP9.79
Rot. Bonds6

About N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine

N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine (PubChem CID 165022601) has the molecular formula C28H21N5S and a molecular weight of 459.58 g/mol. Its IUPAC name is N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine
PubChem CID165022601
Molecular FormulaC28H21N5S
Molecular Weight459.58 g/mol
Exact Mass459.15
IUPAC NameN-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine
SMILESCc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=C/c4cccs4)c4ccccc34)cc2)cc1
InChIInChI=1S/C28H21N5S/c1-20-8-10-21(11-9-20)30-31-22-12-14-23(15-13-22)32-33-28-17-16-27(25-6-2-3-7-26(25)28)29-19-24-5-4-18-34-24/h2-19H,1H3/b29-19+,31-30+,33-32+
InChIKeyLJWPPYKNHPBIIT-ZIPSXRONSA-N
XLogP9.79
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.58
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine?
The IUPAC name of N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine (CID 165022601) is N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine is Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=C/c4cccs4)c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine?
The InChIKey is LJWPPYKNHPBIIT-ZIPSXRONSA-N. The full InChI is InChI=1S/C28H21N5S/c1-20-8-10-21(11-9-20)30-31-22-12-14-23(15-13-22)32-33-28-17-16-27(25-6-2-3-7-26(25)28)29-19-24-5-4-18-34-24/h2-19H,1H3/b29-19+,31-30+,33-32+.
What are the key properties of N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine?
N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine has a molecular weight of 459.58 g/mol, XLogP of 9.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 165022601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).