2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C56H34F3N3 — CID 90362418

IUPAC2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFC(F)(F)c1ccc2c(-c3ccc4ccccc4c3)c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C56H34F3N3/c57-56(58,59)46-28-30-48-50(34-46)52(45-26-22-36-12-8-10-18-42(36)32-45)47-29-27-43(33-49(47)51(48)44-25-21-35-11-7-9-17-41(35)31-44)37-19-23-40(24-20-37)55-61-53(38-13-3-1-4-14-38)60-54(62-55)39-15-5-2-6-16-39/h1-34H
InChIKeyFICYZMXDBZRMQX-UHFFFAOYSA-N
MW805.90 g/mol
LogP15.51
Rot. Bonds6

About 2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 90362418) has the molecular formula C56H34F3N3 and a molecular weight of 805.90 g/mol. Its IUPAC name is 2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID90362418
Molecular FormulaC56H34F3N3
Molecular Weight805.90 g/mol
Exact Mass805.27
IUPAC Name2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFC(F)(F)c1ccc2c(-c3ccc4ccccc4c3)c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C56H34F3N3/c57-56(58,59)46-28-30-48-50(34-46)52(45-26-22-36-12-8-10-18-42(36)32-45)47-29-27-43(33-49(47)51(48)44-25-21-35-11-7-9-17-41(35)31-44)37-19-23-40(24-20-37)55-61-53(38-13-3-1-4-14-38)60-54(62-55)39-15-5-2-6-16-39/h1-34H
InChIKeyFICYZMXDBZRMQX-UHFFFAOYSA-N
XLogP15.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.90
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 90362418) is 2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is FC(F)(F)c1ccc2c(-c3ccc4ccccc4c3)c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FICYZMXDBZRMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34F3N3/c57-56(58,59)46-28-30-48-50(34-46)52(45-26-22-36-12-8-10-18-42(36)32-45)47-29-27-43(33-49(47)51(48)44-25-21-35-11-7-9-17-41(35)31-44)37-19-23-40(24-20-37)55-61-53(38-13-3-1-4-14-38)60-54(62-55)39-15-5-2-6-16-39/h1-34H.
What are the key properties of 2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 805.90 g/mol, XLogP of 15.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 90362418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).