[(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine

C40H33N5 — CID 139314461

IUPAC[(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine
SMILESC/C=C(\NN)c1ccc(-c2ccc3ccccc3c2-c2ccc(C3N=C(c4ccccc4)NC(c4ccccc4)=N3)cc2)cc1
InChIInChI=1S/C40H33N5/c1-2-36(45-41)29-19-17-28(18-20-29)35-26-25-27-11-9-10-16-34(27)37(35)30-21-23-33(24-22-30)40-43-38(31-12-5-3-6-13-31)42-39(44-40)32-14-7-4-8-15-32/h2-26,40,45H,41H2,1H3,(H,42,43,44)/b36-2-
InChIKeyXMVBMHFXIZORDO-NHEJZEQBSA-N
MW583.74 g/mol
LogP8.49
Rot. Bonds7

About [(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine

[(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine (PubChem CID 139314461) has the molecular formula C40H33N5 and a molecular weight of 583.74 g/mol. Its IUPAC name is [(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine.

Molecular Properties

Compound Name[(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine
PubChem CID139314461
Molecular FormulaC40H33N5
Molecular Weight583.74 g/mol
Exact Mass583.27
IUPAC Name[(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine
SMILESC/C=C(\NN)c1ccc(-c2ccc3ccccc3c2-c2ccc(C3N=C(c4ccccc4)NC(c4ccccc4)=N3)cc2)cc1
InChIInChI=1S/C40H33N5/c1-2-36(45-41)29-19-17-28(18-20-29)35-26-25-27-11-9-10-16-34(27)37(35)30-21-23-33(24-22-30)40-43-38(31-12-5-3-6-13-31)42-39(44-40)32-14-7-4-8-15-32/h2-26,40,45H,41H2,1H3,(H,42,43,44)/b36-2-
InChIKeyXMVBMHFXIZORDO-NHEJZEQBSA-N
XLogP8.49
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.74
LogP ≤ 58.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine 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 [(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine?
The IUPAC name of [(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine (CID 139314461) is [(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine.
What is the SMILES notation for [(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine?
The canonical SMILES for [(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine is C/C=C(\NN)c1ccc(-c2ccc3ccccc3c2-c2ccc(C3N=C(c4ccccc4)NC(c4ccccc4)=N3)cc2)cc1.
What is the InChIKey of [(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine?
The InChIKey is XMVBMHFXIZORDO-NHEJZEQBSA-N. The full InChI is InChI=1S/C40H33N5/c1-2-36(45-41)29-19-17-28(18-20-29)35-26-25-27-11-9-10-16-34(27)37(35)30-21-23-33(24-22-30)40-43-38(31-12-5-3-6-13-31)42-39(44-40)32-14-7-4-8-15-32/h2-26,40,45H,41H2,1H3,(H,42,43,44)/b36-2-.
What are the key properties of [(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine?
[(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine has a molecular weight of 583.74 g/mol, XLogP of 8.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine is sourced from PubChem (CID 139314461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).