9,9-dimethyl-4-(2-nitrophenyl)fluorene

C21H17NO2 — CID 175669556

IUPAC9,9-dimethyl-4-(2-nitrophenyl)fluorene
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3[N+](=O)[O-])cccc21
InChIInChI=1S/C21H17NO2/c1-21(2)17-11-5-3-9-16(17)20-15(10-7-12-18(20)21)14-8-4-6-13-19(14)22(23)24/h3-13H,1-2H3
InChIKeySLINWBQKZBYQEB-UHFFFAOYSA-N
MW315.37 g/mol
LogP5.57
Rot. Bonds2

About 9,9-dimethyl-4-(2-nitrophenyl)fluorene

9,9-dimethyl-4-(2-nitrophenyl)fluorene (PubChem CID 175669556) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 9,9-dimethyl-4-(2-nitrophenyl)fluorene.

Molecular Properties

Compound Name9,9-dimethyl-4-(2-nitrophenyl)fluorene
PubChem CID175669556
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name9,9-dimethyl-4-(2-nitrophenyl)fluorene
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3[N+](=O)[O-])cccc21
InChIInChI=1S/C21H17NO2/c1-21(2)17-11-5-3-9-16(17)20-15(10-7-12-18(20)21)14-8-4-6-13-19(14)22(23)24/h3-13H,1-2H3
InChIKeySLINWBQKZBYQEB-UHFFFAOYSA-N
XLogP5.57
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.37
LogP ≤ 55.57
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

4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
9,9-dimethyl-3-(2-nitrophenyl)fluorene
CID 134530448
4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 118104063
10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole
CID 90257397
9-methyl-9-(2-nitrophenyl)fluorene
CID 129293080
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
1-(2-nitrophenyl)anthracene-9,10-dione
CID 624934
7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819532
11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene
CID 126621942
2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine
CID 155467276
9,9-dimethylfluorene-4-carbaldehyde
CID 123972608

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-(2-nitrophenyl)fluorene?
The IUPAC name of 9,9-dimethyl-4-(2-nitrophenyl)fluorene (CID 175669556) is 9,9-dimethyl-4-(2-nitrophenyl)fluorene.
What is the SMILES notation for 9,9-dimethyl-4-(2-nitrophenyl)fluorene?
The canonical SMILES for 9,9-dimethyl-4-(2-nitrophenyl)fluorene is CC1(C)c2ccccc2-c2c(-c3ccccc3[N+](=O)[O-])cccc21.
What is the InChIKey of 9,9-dimethyl-4-(2-nitrophenyl)fluorene?
The InChIKey is SLINWBQKZBYQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-21(2)17-11-5-3-9-16(17)20-15(10-7-12-18(20)21)14-8-4-6-13-19(14)22(23)24/h3-13H,1-2H3.
What are the key properties of 9,9-dimethyl-4-(2-nitrophenyl)fluorene?
9,9-dimethyl-4-(2-nitrophenyl)fluorene has a molecular weight of 315.37 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-4-(2-nitrophenyl)fluorene is sourced from PubChem (CID 175669556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).