4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine

C51H32F2N2 — CID 71273578

IUPAC4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine
SMILESFc1ccc(C2(c3ccc(F)cc3)C(c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)=Cc3ccccc32)cc1
InChIInChI=1S/C51H32F2N2/c52-44-25-21-42(22-26-44)51(43-23-27-45(53)28-24-43)46-12-6-5-11-39(46)31-47(51)35-15-17-36(18-16-35)48-32-49(40-19-13-33-7-1-3-9-37(33)29-40)55-50(54-48)41-20-14-34-8-2-4-10-38(34)30-41/h1-32H
InChIKeySVGLIRCPHYGFEF-UHFFFAOYSA-N
MW710.83 g/mol
LogP12.95
Rot. Bonds6

About 4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine

4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine (PubChem CID 71273578) has the molecular formula C51H32F2N2 and a molecular weight of 710.83 g/mol. Its IUPAC name is 4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine
PubChem CID71273578
Molecular FormulaC51H32F2N2
Molecular Weight710.83 g/mol
Exact Mass710.25
IUPAC Name4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine
SMILESFc1ccc(C2(c3ccc(F)cc3)C(c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)=Cc3ccccc32)cc1
InChIInChI=1S/C51H32F2N2/c52-44-25-21-42(22-26-44)51(43-23-27-45(53)28-24-43)46-12-6-5-11-39(46)31-47(51)35-15-17-36(18-16-35)48-32-49(40-19-13-33-7-1-3-9-37(33)29-40)55-50(54-48)41-20-14-34-8-2-4-10-38(34)30-41/h1-32H
InChIKeySVGLIRCPHYGFEF-UHFFFAOYSA-N
XLogP12.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.83
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine?
The IUPAC name of 4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine (CID 71273578) is 4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine.
What is the SMILES notation for 4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine?
The canonical SMILES for 4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine is Fc1ccc(C2(c3ccc(F)cc3)C(c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)=Cc3ccccc32)cc1.
What is the InChIKey of 4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine?
The InChIKey is SVGLIRCPHYGFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32F2N2/c52-44-25-21-42(22-26-44)51(43-23-27-45(53)28-24-43)46-12-6-5-11-39(46)31-47(51)35-15-17-36(18-16-35)48-32-49(40-19-13-33-7-1-3-9-37(33)29-40)55-50(54-48)41-20-14-34-8-2-4-10-38(34)30-41/h1-32H.
What are the key properties of 4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine?
4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine has a molecular weight of 710.83 g/mol, XLogP of 12.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine is sourced from PubChem (CID 71273578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).