2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene

C25H22BrNO2 — CID 169023215

IUPAC2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene
SMILESO=[N+]([O-])c1ccccc1-c1ccc2c(c1)-c1ccc(Br)cc1C2C1CCCCC1
InChIInChI=1S/C25H22BrNO2/c26-18-11-13-20-22-14-17(19-8-4-5-9-24(19)27(28)29)10-12-21(22)25(23(20)15-18)16-6-2-1-3-7-16/h4-5,8-16,25H,1-3,6-7H2
InChIKeyKXSZRXOAQITQRH-UHFFFAOYSA-N
MW448.36 g/mol
LogP7.72
Rot. Bonds3

About 2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene

2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene (PubChem CID 169023215) has the molecular formula C25H22BrNO2 and a molecular weight of 448.36 g/mol. Its IUPAC name is 2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene.

Molecular Properties

Compound Name2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene
PubChem CID169023215
Molecular FormulaC25H22BrNO2
Molecular Weight448.36 g/mol
Exact Mass447.08
IUPAC Name2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene
SMILESO=[N+]([O-])c1ccccc1-c1ccc2c(c1)-c1ccc(Br)cc1C2C1CCCCC1
InChIInChI=1S/C25H22BrNO2/c26-18-11-13-20-22-14-17(19-8-4-5-9-24(19)27(28)29)10-12-21(22)25(23(20)15-18)16-6-2-1-3-7-16/h4-5,8-16,25H,1-3,6-7H2
InChIKeyKXSZRXOAQITQRH-UHFFFAOYSA-N
XLogP7.72
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.36
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid
CID 169023206
3-cyclohexyl-7-(2-nitrophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 22323982
2-(4-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 58501439
4-bromo-1-nitro-2-(4-phenylphenyl)benzene
CID 144601418
2-(5-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 130288813
1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
1-(3-bromophenyl)-2,4-dinitrobenzene
CID 174514177
4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene
CID 57053685
9,9-dimethyl-3-(2-nitrophenyl)fluorene
CID 134530448
3,6-bis(2-nitrophenyl)-9H-carbazole
CID 129277402
4-bromo-1-(2-chlorophenyl)-2-nitrobenzene
CID 147124448
4-bromo-1-cyclohexylsulfanyl-2-nitrobenzene
CID 60647428

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene?
The IUPAC name of 2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene (CID 169023215) is 2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene.
What is the SMILES notation for 2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene?
The canonical SMILES for 2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene is O=[N+]([O-])c1ccccc1-c1ccc2c(c1)-c1ccc(Br)cc1C2C1CCCCC1.
What is the InChIKey of 2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene?
The InChIKey is KXSZRXOAQITQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrNO2/c26-18-11-13-20-22-14-17(19-8-4-5-9-24(19)27(28)29)10-12-21(22)25(23(20)15-18)16-6-2-1-3-7-16/h4-5,8-16,25H,1-3,6-7H2.
What are the key properties of 2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene?
2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene has a molecular weight of 448.36 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-cyclohexyl-6-(2-nitrophenyl)-9H-fluorene is sourced from PubChem (CID 169023215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).