(NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine

C24H18BrN3O — CID 85469647

IUPAC(NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
SMILESO/N=C(\c1ccc(Br)cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H18BrN3O/c25-16-11-9-15(10-12-16)24(28-29)23(19-13-26-21-7-3-1-5-17(19)21)20-14-27-22-8-4-2-6-18(20)22/h1-14,23,26-27,29H/b28-24+
InChIKeyZOFSXVMZDDWJNA-ZZIIXHQDSA-N
MW444.33 g/mol
LogP6.42
Rot. Bonds4

About (NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine

(NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine (PubChem CID 85469647) has the molecular formula C24H18BrN3O and a molecular weight of 444.33 g/mol. Its IUPAC name is (NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
PubChem CID85469647
Molecular FormulaC24H18BrN3O
Molecular Weight444.33 g/mol
Exact Mass443.06
IUPAC Name(NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
SMILESO/N=C(\c1ccc(Br)cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H18BrN3O/c25-16-11-9-15(10-12-16)24(28-29)23(19-13-26-21-7-3-1-5-17(19)21)20-14-27-22-8-4-2-6-18(20)22/h1-14,23,26-27,29H/b28-24+
InChIKeyZOFSXVMZDDWJNA-ZZIIXHQDSA-N
XLogP6.42
TPSA64.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.33
LogP ≤ 56.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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Related Compounds

(NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
CID 138403064
3-[(2Z)-2-(4-bromophenyl)-2-hydroxyimino-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol
CID 138403079
(3R)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 16726471
(3S)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 102311824
1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone
CID 18807557
4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide
CID 71399214
(2S)-4-[(4-bromobenzoyl)hydrazinylidene]-2-(1H-indol-3-yl)-4-phenylbutanoic acid
CID 129441168
(2S)-4-(4-bromophenyl)imino-2-(1H-indol-3-yl)-4-phenylbutanoic acid
CID 1378766
1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 123131717
3-propan-2-yl-1H-indole
CID 12534824
[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7889015
N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline
CID 57379323

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine (CID 85469647) is (NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine is O/N=C(\c1ccc(Br)cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of (NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine?
The InChIKey is ZOFSXVMZDDWJNA-ZZIIXHQDSA-N. The full InChI is InChI=1S/C24H18BrN3O/c25-16-11-9-15(10-12-16)24(28-29)23(19-13-26-21-7-3-1-5-17(19)21)20-14-27-22-8-4-2-6-18(20)22/h1-14,23,26-27,29H/b28-24+.
What are the key properties of (NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine?
(NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine has a molecular weight of 444.33 g/mol, XLogP of 6.42, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 85469647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).