2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine

C103H113N3 — CID 153439025

IUPAC2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine
SMILESCC(C)(C)c1cccc(-c2cc(-c3cc(C(C)(C)C)ccn3)ccc2-c2ccccc2C2CC(c3ccccc3-c3ccc(-c4cc(C(C)(C)C)ccn4)cc3-c3cccc(C(C)(C)C)c3)CC(c3ccc(C(C)(C)C)cc3-c3ccc(-c4cc(C(C)(C)C)ccn4)cc3-c3cccc(C(C)(C)C)c3)C2)c1
InChIInChI=1S/C103H113N3/c1-97(2,3)75-32-26-29-66(56-75)90-59-69(94-63-79(47-50-104-94)101(13,14)15)39-43-87(90)85-37-24-22-35-82(85)72-53-73(83-36-23-25-38-86(83)88-44-40-70(95-64-80(48-51-105-95)102(16,17)18)60-91(88)67-30-27-33-76(57-67)98(4,5)6)55-74(54-72)84-46-42-78(100(10,11)12)62-93(84)89-45-41-71(96-65-81(49-52-106-96)103(19,20)21)61-92(89)68-31-28-34-77(58-68)99(7,8)9/h22-52,56-65,72-74H,53-55H2,1-21H3
InChIKeySSARTDNFRXZOEH-UHFFFAOYSA-N
MW1393.06 g/mol
LogP28.79
Rot. Bonds12

About 2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine

2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine (PubChem CID 153439025) has the molecular formula C103H113N3 and a molecular weight of 1393.06 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine
PubChem CID153439025
Molecular FormulaC103H113N3
Molecular Weight1393.06 g/mol
Exact Mass1391.89
IUPAC Name2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine
SMILESCC(C)(C)c1cccc(-c2cc(-c3cc(C(C)(C)C)ccn3)ccc2-c2ccccc2C2CC(c3ccccc3-c3ccc(-c4cc(C(C)(C)C)ccn4)cc3-c3cccc(C(C)(C)C)c3)CC(c3ccc(C(C)(C)C)cc3-c3ccc(-c4cc(C(C)(C)C)ccn4)cc3-c3cccc(C(C)(C)C)c3)C2)c1
InChIInChI=1S/C103H113N3/c1-97(2,3)75-32-26-29-66(56-75)90-59-69(94-63-79(47-50-104-94)101(13,14)15)39-43-87(90)85-37-24-22-35-82(85)72-53-73(83-36-23-25-38-86(83)88-44-40-70(95-64-80(48-51-105-95)102(16,17)18)60-91(88)67-30-27-33-76(57-67)98(4,5)6)55-74(54-72)84-46-42-78(100(10,11)12)62-93(84)89-45-41-71(96-65-81(49-52-106-96)103(19,20)21)61-92(89)68-31-28-34-77(58-68)99(7,8)9/h22-52,56-65,72-74H,53-55H2,1-21H3
InChIKeySSARTDNFRXZOEH-UHFFFAOYSA-N
XLogP28.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001393.06
LogP ≤ 528.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine
CID 138744264
2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-4-tert-butylphenyl]cyclohexyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]-3-bromophenyl]-4-tert-butylpyridine
CID 153449021
2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 153438954
2-[4-[2-[3,5-bis[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]cyclohexyl]phenyl]-3-bromobenzene-6-id-1-yl]-4-tert-butylpyridine;iridium(3+)
CID 153438993
4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine
CID 146184057
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine
CID 140838950
5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline
CID 171751639
2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 153439015
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
CID 161052251
CID 161052251
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]-4-(cyclohexylmethyl)-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine
CID 153439099
4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine
CID 155643269

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine (CID 153439025) is 2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine is CC(C)(C)c1cccc(-c2cc(-c3cc(C(C)(C)C)ccn3)ccc2-c2ccccc2C2CC(c3ccccc3-c3ccc(-c4cc(C(C)(C)C)ccn4)cc3-c3cccc(C(C)(C)C)c3)CC(c3ccc(C(C)(C)C)cc3-c3ccc(-c4cc(C(C)(C)C)ccn4)cc3-c3cccc(C(C)(C)C)c3)C2)c1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine?
The InChIKey is SSARTDNFRXZOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H113N3/c1-97(2,3)75-32-26-29-66(56-75)90-59-69(94-63-79(47-50-104-94)101(13,14)15)39-43-87(90)85-37-24-22-35-82(85)72-53-73(83-36-23-25-38-86(83)88-44-40-70(95-64-80(48-51-105-95)102(16,17)18)60-91(88)67-30-27-33-76(57-67)98(4,5)6)55-74(54-72)84-46-42-78(100(10,11)12)62-93(84)89-45-41-71(96-65-81(49-52-106-96)103(19,20)21)61-92(89)68-31-28-34-77(58-68)99(7,8)9/h22-52,56-65,72-74H,53-55H2,1-21H3.
What are the key properties of 2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine?
2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine has a molecular weight of 1393.06 g/mol, XLogP of 28.79, 12 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-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine is sourced from PubChem (CID 153439025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).