1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole

C28H17BrN2O2 — CID 142725507

IUPAC1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2c(ccn2-c2c(Br)c3ccccc3c3ccccc23)c1
InChIInChI=1S/C28H17BrN2O2/c29-27-23-10-3-1-8-21(23)22-9-2-4-11-24(22)28(27)30-16-15-19-17-18(13-14-25(19)30)20-7-5-6-12-26(20)31(32)33/h1-17H
InChIKeyMEROMYAZLLBTTN-UHFFFAOYSA-N
MW493.36 g/mol
LogP8.27
Rot. Bonds3

About 1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole

1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole (PubChem CID 142725507) has the molecular formula C28H17BrN2O2 and a molecular weight of 493.36 g/mol. Its IUPAC name is 1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole.

Molecular Properties

Compound Name1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole
PubChem CID142725507
Molecular FormulaC28H17BrN2O2
Molecular Weight493.36 g/mol
Exact Mass492.05
IUPAC Name1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2c(ccn2-c2c(Br)c3ccccc3c3ccccc23)c1
InChIInChI=1S/C28H17BrN2O2/c29-27-23-10-3-1-8-21(23)22-9-2-4-11-24(22)28(27)30-16-15-19-17-18(13-14-25(19)30)20-7-5-6-12-26(20)31(32)33/h1-17H
InChIKeyMEROMYAZLLBTTN-UHFFFAOYSA-N
XLogP8.27
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.36
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole?
The IUPAC name of 1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole (CID 142725507) is 1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole.
What is the SMILES notation for 1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole?
The canonical SMILES for 1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole is O=[N+]([O-])c1ccccc1-c1ccc2c(ccn2-c2c(Br)c3ccccc3c3ccccc23)c1.
What is the InChIKey of 1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole?
The InChIKey is MEROMYAZLLBTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17BrN2O2/c29-27-23-10-3-1-8-21(23)22-9-2-4-11-24(22)28(27)30-16-15-19-17-18(13-14-25(19)30)20-7-5-6-12-26(20)31(32)33/h1-17H.
What are the key properties of 1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole?
1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole has a molecular weight of 493.36 g/mol, XLogP of 8.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole is sourced from PubChem (CID 142725507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).