2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol

C93H98N4O2 — CID 159174653

IUPAC2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
SMILESCC(C)(C)c1ccc(-c2ccnc(-c3cccc(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5ccccc5O)n4)c3)c2)cc1.COc1ccccc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cccc(-c3cc(-c4ccc(C(C)(C)C)cc4)ccn3)c2)n1
InChIInChI=1S/C47H50N2O.C46H48N2O/c1-45(2,3)37-20-18-31(19-21-37)32-22-23-48-41(27-32)33-14-13-15-34(24-33)42-28-36(29-43(49-42)40-16-11-12-17-44(40)50-10)35-25-38(46(4,5)6)30-39(26-35)47(7,8)9;1-44(2,3)36-19-17-30(18-20-36)31-21-22-47-40(26-31)32-13-12-14-33(23-32)41-27-35(28-42(48-41)39-15-10-11-16-43(39)49)34-24-37(45(4,5)6)29-38(25-34)46(7,8)9/h11-30H,1-10H3;10-29,49H,1-9H3
InChIKeyKMCVHDNTXGGBIR-UHFFFAOYSA-N
MW1303.83 g/mol
LogP25.12
Rot. Bonds11

About 2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol

2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol (PubChem CID 159174653) has the molecular formula C93H98N4O2 and a molecular weight of 1303.83 g/mol. Its IUPAC name is 2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
PubChem CID159174653
Molecular FormulaC93H98N4O2
Molecular Weight1303.83 g/mol
Exact Mass1302.77
IUPAC Name2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
SMILESCC(C)(C)c1ccc(-c2ccnc(-c3cccc(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5ccccc5O)n4)c3)c2)cc1.COc1ccccc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cccc(-c3cc(-c4ccc(C(C)(C)C)cc4)ccn3)c2)n1
InChIInChI=1S/C47H50N2O.C46H48N2O/c1-45(2,3)37-20-18-31(19-21-37)32-22-23-48-41(27-32)33-14-13-15-34(24-33)42-28-36(29-43(49-42)40-16-11-12-17-44(40)50-10)35-25-38(46(4,5)6)30-39(26-35)47(7,8)9;1-44(2,3)36-19-17-30(18-20-36)31-21-22-47-40(26-31)32-13-12-14-33(23-32)41-27-35(28-42(48-41)39-15-10-11-16-43(39)49)34-24-37(45(4,5)6)29-38(25-34)46(7,8)9/h11-30H,1-10H3;10-29,49H,1-9H3
InChIKeyKMCVHDNTXGGBIR-UHFFFAOYSA-N
XLogP25.12
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001303.83
LogP ≤ 525.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol 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-[2-[11,17,23-Tris[2-(diaminomethylideneamino)ethyl]-25,27-dihydroxy-26,28-bis[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]ethyl]guanidine
CID 45273300
5,11,17,23-Tetrakis(2-aminoethyl)-26,28-bis[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
CID 57345624
2,6-Bis(bis(2-pyridylmethyl)aminomethyl)-4-methylphenol
CID 11756790
6-(4-(tert-Butyl)phenyl)-5-(4-methoxyphenyl)-4-phenyl-3-(4-(trifluoromethyl)phenyl)-2,2'-bipyridine
CID 86341883
3-(4-(tert-Butyl)phenyl)-4-(4-methoxyphenyl)-5-phenyl-6-(4-(trifluoromethyl)phenyl)-2,2'-bipyridine
CID 86341899
4-(4-Methoxyphenyl)-1-[[4-[tris[4-[[4-(4-methoxyphenyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]phenyl]methyl]pyridin-1-ium tetrachloride
CID 177650523
2-[[5,11,17,23-Tetratert-butyl-26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]pyridine
CID 15163579
Tetrakis[(2-pyridylmethyl)oxy]calix[4]arene
CID 15163580
2-[(26,27,28-Tripyridin-2-yloxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)oxy]pyridine
CID 15514514
2,6-Bis{bis(2-pyridylmethyl)aminomethyl}-4-t-butylphenol
CID 12125964
2,4-Ditert-butyl-6-pyridin-2-ylphenol
CID 139118275
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridin-2-yl]oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]pyridine
CID 57968081

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?
The IUPAC name of 2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol (CID 159174653) is 2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol is CC(C)(C)c1ccc(-c2ccnc(-c3cccc(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5ccccc5O)n4)c3)c2)cc1.COc1ccccc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cccc(-c3cc(-c4ccc(C(C)(C)C)cc4)ccn3)c2)n1.
What is the InChIKey of 2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?
The InChIKey is KMCVHDNTXGGBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H50N2O.C46H48N2O/c1-45(2,3)37-20-18-31(19-21-37)32-22-23-48-41(27-32)33-14-13-15-34(24-33)42-28-36(29-43(49-42)40-16-11-12-17-44(40)50-10)35-25-38(46(4,5)6)30-39(26-35)47(7,8)9;1-44(2,3)36-19-17-30(18-20-36)31-21-22-47-40(26-31)32-13-12-14-33(23-32)41-27-35(28-42(48-41)39-15-10-11-16-43(39)49)34-24-37(45(4,5)6)29-38(25-34)46(7,8)9/h11-30H,1-10H3;10-29,49H,1-9H3.
What are the key properties of 2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?
2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol has a molecular weight of 1303.83 g/mol, XLogP of 25.12, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 159174653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).