3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole

C28H16Br2N2O2 — CID 142714515

IUPAC3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole
SMILESO=[N+]([O-])c1cccc2c(Br)ccc(-c3ccc4c(c3)c3cc(Br)ccc3n4-c3ccccc3)c12
InChIInChI=1S/C28H16Br2N2O2/c29-18-10-14-26-23(16-18)22-15-17(9-13-25(22)31(26)19-5-2-1-3-6-19)20-11-12-24(30)21-7-4-8-27(28(20)21)32(33)34/h1-16H
InChIKeyARAHQMAETYIPKR-UHFFFAOYSA-N
MW572.26 g/mol
LogP9.04
Rot. Bonds3

About 3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole

3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole (PubChem CID 142714515) has the molecular formula C28H16Br2N2O2 and a molecular weight of 572.26 g/mol. Its IUPAC name is 3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole
PubChem CID142714515
Molecular FormulaC28H16Br2N2O2
Molecular Weight572.26 g/mol
Exact Mass569.96
IUPAC Name3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole
SMILESO=[N+]([O-])c1cccc2c(Br)ccc(-c3ccc4c(c3)c3cc(Br)ccc3n4-c3ccccc3)c12
InChIInChI=1S/C28H16Br2N2O2/c29-18-10-14-26-23(16-18)22-15-17(9-13-25(22)31(26)19-5-2-1-3-6-19)20-11-12-24(30)21-7-4-8-27(28(20)21)32(33)34/h1-16H
InChIKeyARAHQMAETYIPKR-UHFFFAOYSA-N
XLogP9.04
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.26
LogP ≤ 59.04
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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Related Compounds

3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515
4-(8-nitronaphthalen-1-yl)-9-phenylcarbazole
CID 142725520
2-(4-bromo-2-nitrophenyl)-1-phenylindole
CID 118197296
3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride
CID 159380291
3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 149383852
2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde
CID 134338050
7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
CID 90257402
4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole
CID 178110484
3-[3-(3-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118462638
2-[3-(3-bromophenyl)phenyl]-6,9-diphenylcarbazole
CID 90216159

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole?
The IUPAC name of 3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole (CID 142714515) is 3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole?
The canonical SMILES for 3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole is O=[N+]([O-])c1cccc2c(Br)ccc(-c3ccc4c(c3)c3cc(Br)ccc3n4-c3ccccc3)c12.
What is the InChIKey of 3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole?
The InChIKey is ARAHQMAETYIPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16Br2N2O2/c29-18-10-14-26-23(16-18)22-15-17(9-13-25(22)31(26)19-5-2-1-3-6-19)20-11-12-24(30)21-7-4-8-27(28(20)21)32(33)34/h1-16H.
What are the key properties of 3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole?
3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole has a molecular weight of 572.26 g/mol, XLogP of 9.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole is sourced from PubChem (CID 142714515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).