3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole

C24H25N5 — CID 143214731

IUPAC3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole
SMILESCNN/N=N/C/C(C)=C/Cn1c(-c2ccccc2)cc2c3ccccc3ccc21
InChIInChI=1S/C24H25N5/c1-18(17-26-28-27-25-2)14-15-29-23-13-12-19-8-6-7-11-21(19)22(23)16-24(29)20-9-4-3-5-10-20/h3-14,16H,15,17H2,1-2H3,(H,25,28)(H,26,27)/b18-14+
InChIKeyHQPZTECDXNGISC-NBVRZTHBSA-N
MW383.50 g/mol
LogP5.50
Rot. Bonds7

About 3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole

3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole (PubChem CID 143214731) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole.

Molecular Properties

Compound Name3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole
PubChem CID143214731
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole
SMILESCNN/N=N/C/C(C)=C/Cn1c(-c2ccccc2)cc2c3ccccc3ccc21
InChIInChI=1S/C24H25N5/c1-18(17-26-28-27-25-2)14-15-29-23-13-12-19-8-6-7-11-21(19)22(23)16-24(29)20-9-4-3-5-10-20/h3-14,16H,15,17H2,1-2H3,(H,25,28)(H,26,27)/b18-14+
InChIKeyHQPZTECDXNGISC-NBVRZTHBSA-N
XLogP5.50
TPSA53.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z,2E)-2-[2-[2-[3-(trifluoromethyl)phenyl]benzo[e]indol-3-yl]ethylidene]pent-3-enoic acid
CID 143214516
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CID 143214683
2-methyl-4-(2-phenylbenzo[e]indol-3-yl)pentane-1,1-diol
CID 143214819
(E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol
CID 143214541
1-[(E)-3-chloroprop-2-enyl]-2-phenylindole
CID 116619067
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
2-phenyl-3-(3-propylphenyl)benzo[e]indole
CID 70660628
1-(3-methylbut-3-enyl)-2-phenylindole
CID 114476740
3-(2-phenylbenzo[e]indol-3-yl)cyclohexane-1-carboxylic acid
CID 59214637
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole?
The IUPAC name of 3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole (CID 143214731) is 3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole.
What is the SMILES notation for 3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole?
The canonical SMILES for 3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole is CNN/N=N/C/C(C)=C/Cn1c(-c2ccccc2)cc2c3ccccc3ccc21.
What is the InChIKey of 3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole?
The InChIKey is HQPZTECDXNGISC-NBVRZTHBSA-N. The full InChI is InChI=1S/C24H25N5/c1-18(17-26-28-27-25-2)14-15-29-23-13-12-19-8-6-7-11-21(19)22(23)16-24(29)20-9-4-3-5-10-20/h3-14,16H,15,17H2,1-2H3,(H,25,28)(H,26,27)/b18-14+.
What are the key properties of 3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole?
3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole has a molecular weight of 383.50 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-methyl-4-[(2-methylhydrazinyl)diazenyl]but-2-enyl]-2-phenylbenzo[e]indole is sourced from PubChem (CID 143214731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).