(NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine

C26H22BrN3O — CID 118732555

IUPAC(NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine
SMILESCn1cc(C(/C(=N\O)c2ccc(Br)cc2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C26H22BrN3O/c1-29-15-21(19-7-3-5-9-23(19)29)25(26(28-31)17-11-13-18(27)14-12-17)22-16-30(2)24-10-6-4-8-20(22)24/h3-16,25,31H,1-2H3/b28-26-
InChIKeyGKEHNTISMJQVJI-SGEDCAFJSA-N
MW472.39 g/mol
LogP6.44
Rot. Bonds4

About (NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine

(NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine (PubChem CID 118732555) has the molecular formula C26H22BrN3O and a molecular weight of 472.39 g/mol. Its IUPAC name is (NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine
PubChem CID118732555
Molecular FormulaC26H22BrN3O
Molecular Weight472.39 g/mol
Exact Mass471.09
IUPAC Name(NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine
SMILESCn1cc(C(/C(=N\O)c2ccc(Br)cc2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C26H22BrN3O/c1-29-15-21(19-7-3-5-9-23(19)29)25(26(28-31)17-11-13-18(27)14-12-17)22-16-30(2)24-10-6-4-8-20(22)24/h3-16,25,31H,1-2H3/b28-26-
InChIKeyGKEHNTISMJQVJI-SGEDCAFJSA-N
XLogP6.44
TPSA42.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.39
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine (CID 118732555) is (NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine is Cn1cc(C(/C(=N\O)c2ccc(Br)cc2)c2cn(C)c3ccccc23)c2ccccc21.
What is the InChIKey of (NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine?
The InChIKey is GKEHNTISMJQVJI-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H22BrN3O/c1-29-15-21(19-7-3-5-9-23(19)29)25(26(28-31)17-11-13-18(27)14-12-17)22-16-30(2)24-10-6-4-8-20(22)24/h3-16,25,31H,1-2H3/b28-26-.
What are the key properties of (NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine has a molecular weight of 472.39 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-bromophenyl)-2,2-bis(1-methylindol-3-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 118732555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).