4-bromo-3-nitro-9,9-diphenylfluorene

C25H16BrNO2 — CID 177370574

IUPAC4-bromo-3-nitro-9,9-diphenylfluorene
SMILESO=[N+]([O-])c1ccc2c(c1Br)-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H16BrNO2/c26-24-22(27(28)29)16-15-21-23(24)19-13-7-8-14-20(19)25(21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H
InChIKeyMUTCNQUABBFDPR-UHFFFAOYSA-N
MW442.31 g/mol
LogP6.72
Rot. Bonds3

About 4-bromo-3-nitro-9,9-diphenylfluorene

4-bromo-3-nitro-9,9-diphenylfluorene (PubChem CID 177370574) has the molecular formula C25H16BrNO2 and a molecular weight of 442.31 g/mol. Its IUPAC name is 4-bromo-3-nitro-9,9-diphenylfluorene.

Molecular Properties

Compound Name4-bromo-3-nitro-9,9-diphenylfluorene
PubChem CID177370574
Molecular FormulaC25H16BrNO2
Molecular Weight442.31 g/mol
Exact Mass441.04
IUPAC Name4-bromo-3-nitro-9,9-diphenylfluorene
SMILESO=[N+]([O-])c1ccc2c(c1Br)-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H16BrNO2/c26-24-22(27(28)29)16-15-21-23(24)19-13-7-8-14-20(19)25(21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H
InChIKeyMUTCNQUABBFDPR-UHFFFAOYSA-N
XLogP6.72
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.31
LogP ≤ 56.72
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

3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol
CID 163412438
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine
CID 135176920
4-methyl-9,9-diphenylfluorene
CID 123595050
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene
CID 161028851
4-bromo-3-iodo-9,9'-spirobi[fluorene]
CID 156756658
4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 118104063
4-methyl-9-(2-methylphenyl)-9-phenylfluorene
CID 145360950
15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 142380452
[4-[9-[4-(4-bromo-3-nitrobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 4-bromo-3-nitrobenzoate
CID 3092111

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-nitro-9,9-diphenylfluorene?
The IUPAC name of 4-bromo-3-nitro-9,9-diphenylfluorene (CID 177370574) is 4-bromo-3-nitro-9,9-diphenylfluorene.
What is the SMILES notation for 4-bromo-3-nitro-9,9-diphenylfluorene?
The canonical SMILES for 4-bromo-3-nitro-9,9-diphenylfluorene is O=[N+]([O-])c1ccc2c(c1Br)-c1ccccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-bromo-3-nitro-9,9-diphenylfluorene?
The InChIKey is MUTCNQUABBFDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrNO2/c26-24-22(27(28)29)16-15-21-23(24)19-13-7-8-14-20(19)25(21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H.
What are the key properties of 4-bromo-3-nitro-9,9-diphenylfluorene?
4-bromo-3-nitro-9,9-diphenylfluorene has a molecular weight of 442.31 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-nitro-9,9-diphenylfluorene is sourced from PubChem (CID 177370574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).