3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine

C30H20N2O2 — CID 135176920

IUPAC3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine
SMILESO=[N+]([O-])c1ccccc1-c1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1cccnc1
InChIInChI=1S/C30H20N2O2/c33-32(34)29-15-7-5-12-24(29)21-16-17-28-26(19-21)25-13-4-6-14-27(25)30(28,22-9-2-1-3-10-22)23-11-8-18-31-20-23/h1-20H
InChIKeyZOUAHVFYOOPJGR-UHFFFAOYSA-N
MW440.50 g/mol
LogP7.02
Rot. Bonds4

About 3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine

3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine (PubChem CID 135176920) has the molecular formula C30H20N2O2 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine.

Molecular Properties

Compound Name3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine
PubChem CID135176920
Molecular FormulaC30H20N2O2
Molecular Weight440.50 g/mol
Exact Mass440.15
IUPAC Name3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine
SMILESO=[N+]([O-])c1ccccc1-c1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1cccnc1
InChIInChI=1S/C30H20N2O2/c33-32(34)29-15-7-5-12-24(29)21-16-17-28-26(19-21)25-13-4-6-14-27(25)30(28,22-9-2-1-3-10-22)23-11-8-18-31-20-23/h1-20H
InChIKeyZOUAHVFYOOPJGR-UHFFFAOYSA-N
XLogP7.02
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 57.02
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

9,9-dimethyl-3-(2-nitrophenyl)fluorene
CID 134530448
3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol
CID 163412438
4-[4-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146633222
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146631972
3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine
CID 169293022
3,9,9-triphenylfluorene
CID 140844354
3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785730
3-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]pyridine
CID 138574269
3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116760
1-bromo-9,9-dinaphthalen-1-yl-6-(2-nitrophenyl)fluorene
CID 169023430
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 146633320
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 146632746

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine?
The IUPAC name of 3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine (CID 135176920) is 3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine.
What is the SMILES notation for 3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine?
The canonical SMILES for 3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine is O=[N+]([O-])c1ccccc1-c1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1cccnc1.
What is the InChIKey of 3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine?
The InChIKey is ZOUAHVFYOOPJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O2/c33-32(34)29-15-7-5-12-24(29)21-16-17-28-26(19-21)25-13-4-6-14-27(25)30(28,22-9-2-1-3-10-22)23-11-8-18-31-20-23/h1-20H.
What are the key properties of 3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine?
3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine has a molecular weight of 440.50 g/mol, XLogP of 7.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine is sourced from PubChem (CID 135176920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).