(E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine

C28H22N8 — CID 6525569

IUPAC(E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine
SMILESc1ccc(/C(Cn2nnc3ccccc32)=N/N=C(/Cn2nnc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C28H22N8/c1-3-11-21(12-4-1)25(19-35-27-17-9-7-15-23(27)31-33-35)29-30-26(22-13-5-2-6-14-22)20-36-28-18-10-8-16-24(28)32-34-36/h1-18H,19-20H2/b29-25-,30-26+
InChIKeyLBWQUPRCTCIBHP-ZUSIYWPSSA-N
MW470.54 g/mol
LogP4.77
Rot. Bonds7

About (E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine

(E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine (PubChem CID 6525569) has the molecular formula C28H22N8 and a molecular weight of 470.54 g/mol. Its IUPAC name is (E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine.

Molecular Properties

Compound Name(E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine
PubChem CID6525569
Molecular FormulaC28H22N8
Molecular Weight470.54 g/mol
Exact Mass470.20
IUPAC Name(E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine
SMILESc1ccc(/C(Cn2nnc3ccccc32)=N/N=C(/Cn2nnc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C28H22N8/c1-3-11-21(12-4-1)25(19-35-27-17-9-7-15-23(27)31-33-35)29-30-26(22-13-5-2-6-14-22)20-36-28-18-10-8-16-24(28)32-34-36/h1-18H,19-20H2/b29-25-,30-26+
InChIKeyLBWQUPRCTCIBHP-ZUSIYWPSSA-N
XLogP4.77
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6523910
sodium 2-(benzotriazol-1-yl)acetate
CID 23711121
3-(benzotriazol-1-yl)-1-phenylpropan-1-one
CID 3759222
N-[(Z)-[2-(benzotriazol-1-yl)-1-(4-methylphenyl)ethylidene]amino]-4-methylbenzenesulfonamide
CID 6536218
methyl N-(benzotriazol-1-ylmethyl)benzenecarboximidothioate
CID 3588573
2-(benzotriazol-1-yl)-1-(4-phosphanylphenyl)ethanone
CID 174283691
4-(benzotriazol-1-yl)-3-methylbut-2-enoic acid
CID 77005771
1-(benzotriazol-1-ylmethylsulfinylmethyl)benzotriazole
CID 3765882
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
N'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide
CID 3839105
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231

Frequently Asked Questions

What is the IUPAC name of (E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine?
The IUPAC name of (E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine (CID 6525569) is (E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine.
What is the SMILES notation for (E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine?
The canonical SMILES for (E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine is c1ccc(/C(Cn2nnc3ccccc32)=N/N=C(/Cn2nnc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of (E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine?
The InChIKey is LBWQUPRCTCIBHP-ZUSIYWPSSA-N. The full InChI is InChI=1S/C28H22N8/c1-3-11-21(12-4-1)25(19-35-27-17-9-7-15-23(27)31-33-35)29-30-26(22-13-5-2-6-14-22)20-36-28-18-10-8-16-24(28)32-34-36/h1-18H,19-20H2/b29-25-,30-26+.
What are the key properties of (E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine?
(E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine has a molecular weight of 470.54 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine is sourced from PubChem (CID 6525569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).