4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine

C40H26F6N6 — CID 88552934

IUPAC4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESCc1ccnc(-c2cc(-c3ccc(-c4cc(-c5cc(C(F)(F)F)ccn5)nc(-c5cc(C(F)(F)F)ccn5)c4)cc3)cc(-c3cc(C)ccn3)n2)c1
InChIInChI=1S/C40H26F6N6/c1-23-7-11-47-31(15-23)35-17-27(18-36(51-35)32-16-24(2)8-12-48-32)25-3-5-26(6-4-25)28-19-37(33-21-29(9-13-49-33)39(41,42)43)52-38(20-28)34-22-30(10-14-50-34)40(44,45)46/h3-22H,1-2H3
InChIKeyBQPNYGXYYLNPDT-UHFFFAOYSA-N
MW704.68 g/mol
LogP10.71
Rot. Bonds6

About 4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine

4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine (PubChem CID 88552934) has the molecular formula C40H26F6N6 and a molecular weight of 704.68 g/mol. Its IUPAC name is 4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine
PubChem CID88552934
Molecular FormulaC40H26F6N6
Molecular Weight704.68 g/mol
Exact Mass704.21
IUPAC Name4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESCc1ccnc(-c2cc(-c3ccc(-c4cc(-c5cc(C(F)(F)F)ccn5)nc(-c5cc(C(F)(F)F)ccn5)c4)cc3)cc(-c3cc(C)ccn3)n2)c1
InChIInChI=1S/C40H26F6N6/c1-23-7-11-47-31(15-23)35-17-27(18-36(51-35)32-16-24(2)8-12-48-32)25-3-5-26(6-4-25)28-19-37(33-21-29(9-13-49-33)39(41,42)43)52-38(20-28)34-22-30(10-14-50-34)40(44,45)46/h3-22H,1-2H3
InChIKeyBQPNYGXYYLNPDT-UHFFFAOYSA-N
XLogP10.71
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.68
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine?
The IUPAC name of 4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine (CID 88552934) is 4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine is Cc1ccnc(-c2cc(-c3ccc(-c4cc(-c5cc(C(F)(F)F)ccn5)nc(-c5cc(C(F)(F)F)ccn5)c4)cc3)cc(-c3cc(C)ccn3)n2)c1.
What is the InChIKey of 4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine?
The InChIKey is BQPNYGXYYLNPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26F6N6/c1-23-7-11-47-31(15-23)35-17-27(18-36(51-35)32-16-24(2)8-12-48-32)25-3-5-26(6-4-25)28-19-37(33-21-29(9-13-49-33)39(41,42)43)52-38(20-28)34-22-30(10-14-50-34)40(44,45)46/h3-22H,1-2H3.
What are the key properties of 4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine?
4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine has a molecular weight of 704.68 g/mol, XLogP of 10.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2,6-bis(4-methyl-2-pyridinyl)-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 88552934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).