2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine

C73H60F3N3 — CID 122487726

IUPAC2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)c3)cc2)ncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C73H60F3N3/c1-47-39-68(79-46-67(47)54-15-14-16-60(43-54)73(74,75)76)51-29-23-48(24-30-51)61-17-8-11-20-64(61)55-40-56(65-21-12-9-18-62(65)49-25-31-52(32-26-49)69-44-58(35-37-77-69)71(2,3)4)42-57(41-55)66-22-13-10-19-63(66)50-27-33-53(34-28-50)70-45-59(36-38-78-70)72(5,6)7/h8-46H,1-7H3
InChIKeyACVDZMXQYFMDNH-UHFFFAOYSA-N
MW1036.30 g/mol
LogP20.46
Rot. Bonds10

About 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine

2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 122487726) has the molecular formula C73H60F3N3 and a molecular weight of 1036.30 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID122487726
Molecular FormulaC73H60F3N3
Molecular Weight1036.30 g/mol
Exact Mass1035.47
IUPAC Name2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)c3)cc2)ncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C73H60F3N3/c1-47-39-68(79-46-67(47)54-15-14-16-60(43-54)73(74,75)76)51-29-23-48(24-30-51)61-17-8-11-20-64(61)55-40-56(65-21-12-9-18-62(65)49-25-31-52(32-26-49)69-44-58(35-37-77-69)71(2,3)4)42-57(41-55)66-22-13-10-19-63(66)50-27-33-53(34-28-50)70-45-59(36-38-78-70)72(5,6)7/h8-46H,1-7H3
InChIKeyACVDZMXQYFMDNH-UHFFFAOYSA-N
XLogP20.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.30
LogP ≤ 520.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine (CID 122487726) is 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine is Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)c3)cc2)ncc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is ACVDZMXQYFMDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H60F3N3/c1-47-39-68(79-46-67(47)54-15-14-16-60(43-54)73(74,75)76)51-29-23-48(24-30-51)61-17-8-11-20-64(61)55-40-56(65-21-12-9-18-62(65)49-25-31-52(32-26-49)69-44-58(35-37-77-69)71(2,3)4)42-57(41-55)66-22-13-10-19-63(66)50-27-33-53(34-28-50)70-45-59(36-38-78-70)72(5,6)7/h8-46H,1-7H3.
What are the key properties of 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine?
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 1036.30 g/mol, XLogP of 20.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 122487726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).