3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol

C31H21NO3 — CID 163412438

IUPAC3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol
SMILESO=[N+]([O-])c1ccccc1-c1cc2c(cc1O)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C31H21NO3/c33-30-20-28-25(19-26(30)24-16-8-10-18-29(24)32(34)35)23-15-7-9-17-27(23)31(28,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-20,33H
InChIKeyABPDWWYOYWIGIQ-UHFFFAOYSA-N
MW455.51 g/mol
LogP7.33
Rot. Bonds4

About 3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol

3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol (PubChem CID 163412438) has the molecular formula C31H21NO3 and a molecular weight of 455.51 g/mol. Its IUPAC name is 3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol.

Molecular Properties

Compound Name3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol
PubChem CID163412438
Molecular FormulaC31H21NO3
Molecular Weight455.51 g/mol
Exact Mass455.15
IUPAC Name3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol
SMILESO=[N+]([O-])c1ccccc1-c1cc2c(cc1O)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C31H21NO3/c33-30-20-28-25(19-26(30)24-16-8-10-18-29(24)32(34)35)23-15-7-9-17-27(23)31(28,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-20,33H
InChIKeyABPDWWYOYWIGIQ-UHFFFAOYSA-N
XLogP7.33
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 57.33
H-Bond Donors ≤ 51
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

3,3'-dinitro-9,9'-spirobi[fluorene]-2,2'-diol;ethane
CID 144999063
3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine
CID 135176920
3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol
CID 146367956
4-bromo-3-nitro-9,9-diphenylfluorene
CID 177370574
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol
CID 90136304
3,9,9-triphenylfluorene
CID 140844354
5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol
CID 175505475
9,9-diphenylfluorene;methoxymethane
CID 143139467
[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 3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol?
The IUPAC name of 3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol (CID 163412438) is 3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol.
What is the SMILES notation for 3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol?
The canonical SMILES for 3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol is O=[N+]([O-])c1ccccc1-c1cc2c(cc1O)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol?
The InChIKey is ABPDWWYOYWIGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NO3/c33-30-20-28-25(19-26(30)24-16-8-10-18-29(24)32(34)35)23-15-7-9-17-27(23)31(28,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-20,33H.
What are the key properties of 3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol?
3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol has a molecular weight of 455.51 g/mol, XLogP of 7.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol is sourced from PubChem (CID 163412438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).