[3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine

C27H25N3O — CID 143553025

IUPAC[3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine
SMILESCC1CC=CC2=C1c1cc(-c3cc4ccccc4o3)n(-c3cccc(NN)c3)c1CC2
InChIInChI=1S/C27H25N3O/c1-17-6-4-8-18-12-13-23-22(27(17)18)16-24(26-14-19-7-2-3-11-25(19)31-26)30(23)21-10-5-9-20(15-21)29-28/h2-5,7-11,14-17,29H,6,12-13,28H2,1H3
InChIKeyIEJLPSREMIFUOW-UHFFFAOYSA-N
MW407.52 g/mol
LogP6.47
Rot. Bonds3

About [3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine

[3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine (PubChem CID 143553025) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is [3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine.

Molecular Properties

Compound Name[3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine
PubChem CID143553025
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name[3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine
SMILESCC1CC=CC2=C1c1cc(-c3cc4ccccc4o3)n(-c3cccc(NN)c3)c1CC2
InChIInChI=1S/C27H25N3O/c1-17-6-4-8-18-12-13-23-22(27(17)18)16-24(26-14-19-7-2-3-11-25(19)31-26)30(23)21-10-5-9-20(15-21)29-28/h2-5,7-11,14-17,29H,6,12-13,28H2,1H3
InChIKeyIEJLPSREMIFUOW-UHFFFAOYSA-N
XLogP6.47
TPSA56.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine?
The IUPAC name of [3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine (CID 143553025) is [3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine.
What is the SMILES notation for [3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine?
The canonical SMILES for [3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine is CC1CC=CC2=C1c1cc(-c3cc4ccccc4o3)n(-c3cccc(NN)c3)c1CC2.
What is the InChIKey of [3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine?
The InChIKey is IEJLPSREMIFUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c1-17-6-4-8-18-12-13-23-22(27(17)18)16-24(26-14-19-7-2-3-11-25(19)31-26)30(23)21-10-5-9-20(15-21)29-28/h2-5,7-11,14-17,29H,6,12-13,28H2,1H3.
What are the key properties of [3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine?
[3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine has a molecular weight of 407.52 g/mol, XLogP of 6.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(1-benzofuran-2-yl)-9-methyl-4,5,8,9-tetrahydrobenzo[e]indol-3-yl]phenyl]hydrazine is sourced from PubChem (CID 143553025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).