(2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide

C59H54N4Si — CID 177074450

IUPAC(2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide
SMILESC/C=C\C=C(C)\C(N)=N\C(=C/CN1C(/C=C\C)=C(C)C(c2ccccc2)(c2ccccc2)c2ccccc21)N1c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C59H54N4Si/c1-5-7-27-44(3)58(60)61-57(63-53-38-22-24-40-55(53)64(48-32-16-10-17-33-48,49-34-18-11-19-35-49)56-41-25-23-39-54(56)63)42-43-62-51(26-6-2)45(4)59(46-28-12-8-13-29-46,47-30-14-9-15-31-47)50-36-20-21-37-52(50)62/h5-42H,43H2,1-4H3,(H2,60,61)/b7-5-,26-6-,44-27+,57-42+
InChIKeyJNVGYNYUDPEOIL-RIJBGBSJSA-N
MW847.20 g/mol
LogP10.94
Rot. Bonds11

About (2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide

(2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide (PubChem CID 177074450) has the molecular formula C59H54N4Si and a molecular weight of 847.20 g/mol. Its IUPAC name is (2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide
PubChem CID177074450
Molecular FormulaC59H54N4Si
Molecular Weight847.20 g/mol
Exact Mass846.41
IUPAC Name(2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide
SMILESC/C=C\C=C(C)\C(N)=N\C(=C/CN1C(/C=C\C)=C(C)C(c2ccccc2)(c2ccccc2)c2ccccc21)N1c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C59H54N4Si/c1-5-7-27-44(3)58(60)61-57(63-53-38-22-24-40-55(53)64(48-32-16-10-17-33-48,49-34-18-11-19-35-49)56-41-25-23-39-54(56)63)42-43-62-51(26-6-2)45(4)59(46-28-12-8-13-29-46,47-30-14-9-15-31-47)50-36-20-21-37-52(50)62/h5-42H,43H2,1-4H3,(H2,60,61)/b7-5-,26-6-,44-27+,57-42+
InChIKeyJNVGYNYUDPEOIL-RIJBGBSJSA-N
XLogP10.94
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.20
LogP ≤ 510.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide?
The IUPAC name of (2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide (CID 177074450) is (2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide.
What is the SMILES notation for (2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide?
The canonical SMILES for (2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide is C/C=C\C=C(C)\C(N)=N\C(=C/CN1C(/C=C\C)=C(C)C(c2ccccc2)(c2ccccc2)c2ccccc21)N1c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of (2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide?
The InChIKey is JNVGYNYUDPEOIL-RIJBGBSJSA-N. The full InChI is InChI=1S/C59H54N4Si/c1-5-7-27-44(3)58(60)61-57(63-53-38-22-24-40-55(53)64(48-32-16-10-17-33-48,49-34-18-11-19-35-49)56-41-25-23-39-54(56)63)42-43-62-51(26-6-2)45(4)59(46-28-12-8-13-29-46,47-30-14-9-15-31-47)50-36-20-21-37-52(50)62/h5-42H,43H2,1-4H3,(H2,60,61)/b7-5-,26-6-,44-27+,57-42+.
What are the key properties of (2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide?
(2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide has a molecular weight of 847.20 g/mol, XLogP of 10.94, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N'-[(Z)-1-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-[3-methyl-4,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-1-yl]prop-1-enyl]-2-methylhexa-2,4-dienimidamide is sourced from PubChem (CID 177074450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).