6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde

C33H23N3O3 — CID 154616356

IUPAC6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde
SMILESO=Cc1cc2c(-c3ccncc3)cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1[N+](=O)[O-]
InChIInChI=1S/C33H23N3O3/c37-23-25-20-29-30(24-16-18-34-19-17-24)22-35(32(29)21-31(25)36(38)39)33(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-23H
InChIKeyQNIKAHDEBXVKMB-UHFFFAOYSA-N
MW509.57 g/mol
LogP7.26
Rot. Bonds7

About 6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde

6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde (PubChem CID 154616356) has the molecular formula C33H23N3O3 and a molecular weight of 509.57 g/mol. Its IUPAC name is 6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde.

Molecular Properties

Compound Name6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde
PubChem CID154616356
Molecular FormulaC33H23N3O3
Molecular Weight509.57 g/mol
Exact Mass509.17
IUPAC Name6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde
SMILESO=Cc1cc2c(-c3ccncc3)cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1[N+](=O)[O-]
InChIInChI=1S/C33H23N3O3/c37-23-25-20-29-30(24-16-18-34-19-17-24)22-35(32(29)21-31(25)36(38)39)33(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-23H
InChIKeyQNIKAHDEBXVKMB-UHFFFAOYSA-N
XLogP7.26
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.57
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(6-nitro-3-pyridin-4-yl-1-tritylindazol-5-yl)prop-2-enoate
CID 151868564
3-nitronaphthalene-2-carbaldehyde
CID 12069028
3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde
CID 121284429
1-nitro-2-phenylbenzene;pyridine
CID 174774599
2-nitro-5-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)benzonitrile
CID 155792283
phenyl 4-formyl-3-nitrobenzenesulfonate
CID 174286342
5-bromo-3-(2-methyl-4-pyridinyl)-6-nitro-1-tritylindazole;methane;methyl (E)-3-[3-(2-methyl-4-pyridinyl)-6-nitro-1-tritylindazol-5-yl]prop-2-enoate
CID 159236869
3-bromo-5,6-dinitro-1H-isoindole;3-bromo-5,6-dinitro-1-tritylindazole
CID 157496633
6-fluoro-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1-tritylindazole
CID 68932932
methane;methanol;5-nitro-3-pyridin-4-yl-1-tritylindazole;3-pyridin-4-yl-1-tritylindazol-5-amine
CID 158579058
6-fluoro-5-nitro-3-(2-pyridin-3-ylethenyl)-1-tritylindazole
CID 68932934
1-methoxy-4,6-dinitro-3-phenylindole
CID 101390993

Frequently Asked Questions

What is the IUPAC name of 6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde?
The IUPAC name of 6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde (CID 154616356) is 6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde.
What is the SMILES notation for 6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde?
The canonical SMILES for 6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde is O=Cc1cc2c(-c3ccncc3)cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1[N+](=O)[O-].
What is the InChIKey of 6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde?
The InChIKey is QNIKAHDEBXVKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3O3/c37-23-25-20-29-30(24-16-18-34-19-17-24)22-35(32(29)21-31(25)36(38)39)33(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-23H.
What are the key properties of 6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde?
6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde has a molecular weight of 509.57 g/mol, XLogP of 7.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-3-pyridin-4-yl-1-tritylindole-5-carbaldehyde is sourced from PubChem (CID 154616356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).