3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole

C30H18BrFN2O2 — CID 176850872

IUPAC3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole
SMILESO=[N+]([O-])c1cccc(-c2cc3c(cc2-c2ccccc2Br)c2ccccc2n3-c2ccccc2)c1F
InChIInChI=1S/C30H18BrFN2O2/c31-26-14-6-4-11-20(26)23-17-25-21-12-5-7-15-27(21)33(19-9-2-1-3-10-19)29(25)18-24(23)22-13-8-16-28(30(22)32)34(35)36/h1-18H
InChIKeyYWXABSAEZFCWPP-UHFFFAOYSA-N
MW537.39 g/mol
LogP8.93
Rot. Bonds4

About 3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole

3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole (PubChem CID 176850872) has the molecular formula C30H18BrFN2O2 and a molecular weight of 537.39 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole
PubChem CID176850872
Molecular FormulaC30H18BrFN2O2
Molecular Weight537.39 g/mol
Exact Mass536.05
IUPAC Name3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole
SMILESO=[N+]([O-])c1cccc(-c2cc3c(cc2-c2ccccc2Br)c2ccccc2n3-c2ccccc2)c1F
InChIInChI=1S/C30H18BrFN2O2/c31-26-14-6-4-11-20(26)23-17-25-21-12-5-7-15-27(21)33(19-9-2-1-3-10-19)29(25)18-24(23)22-13-8-16-28(30(22)32)34(35)36/h1-18H
InChIKeyYWXABSAEZFCWPP-UHFFFAOYSA-N
XLogP8.93
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.39
LogP ≤ 58.93
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole?
The IUPAC name of 3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole (CID 176850872) is 3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole.
What is the SMILES notation for 3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole?
The canonical SMILES for 3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole is O=[N+]([O-])c1cccc(-c2cc3c(cc2-c2ccccc2Br)c2ccccc2n3-c2ccccc2)c1F.
What is the InChIKey of 3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole?
The InChIKey is YWXABSAEZFCWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18BrFN2O2/c31-26-14-6-4-11-20(26)23-17-25-21-12-5-7-15-27(21)33(19-9-2-1-3-10-19)29(25)18-24(23)22-13-8-16-28(30(22)32)34(35)36/h1-18H.
What are the key properties of 3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole?
3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole has a molecular weight of 537.39 g/mol, XLogP of 8.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-(2-fluoro-3-nitrophenyl)-9-phenylcarbazole is sourced from PubChem (CID 176850872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).