2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

C50H31F2N3 — CID 58233419

IUPAC2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESFc1ccc(C2(c3ccc(F)cc3)C(c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)=Cc3ccccc32)cc1
InChIInChI=1S/C50H31F2N3/c51-43-25-21-41(22-26-43)50(42-23-27-44(52)28-24-42)45-12-6-5-11-38(45)31-46(50)34-15-17-35(18-16-34)47-53-48(39-19-13-32-7-1-3-9-36(32)29-39)55-49(54-47)40-20-14-33-8-2-4-10-37(33)30-40/h1-31H
InChIKeyZNSVKWLJLPNAFR-UHFFFAOYSA-N
MW711.82 g/mol
LogP12.35
Rot. Bonds6

About 2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 58233419) has the molecular formula C50H31F2N3 and a molecular weight of 711.82 g/mol. Its IUPAC name is 2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID58233419
Molecular FormulaC50H31F2N3
Molecular Weight711.82 g/mol
Exact Mass711.25
IUPAC Name2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESFc1ccc(C2(c3ccc(F)cc3)C(c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)=Cc3ccccc32)cc1
InChIInChI=1S/C50H31F2N3/c51-43-25-21-41(22-26-43)50(42-23-27-44(52)28-24-42)45-12-6-5-11-38(45)31-46(50)34-15-17-35(18-16-34)47-53-48(39-19-13-32-7-1-3-9-36(32)29-39)55-49(54-47)40-20-14-33-8-2-4-10-37(33)30-40/h1-31H
InChIKeyZNSVKWLJLPNAFR-UHFFFAOYSA-N
XLogP12.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.82
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 58233419) is 2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is Fc1ccc(C2(c3ccc(F)cc3)C(c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)=Cc3ccccc32)cc1.
What is the InChIKey of 2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is ZNSVKWLJLPNAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31F2N3/c51-43-25-21-41(22-26-43)50(42-23-27-44(52)28-24-42)45-12-6-5-11-38(45)31-46(50)34-15-17-35(18-16-34)47-53-48(39-19-13-32-7-1-3-9-36(32)29-39)55-49(54-47)40-20-14-33-8-2-4-10-37(33)30-40/h1-31H.
What are the key properties of 2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 711.82 g/mol, XLogP of 12.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1,1-bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 58233419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).