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

C97H106N4O2 — CID 158711936

IUPAC4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
SMILESCC(C)c1cccc(C(C)C)c1-c1ccnc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4O)n3)c2)c1.COc1ccccc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cccc(-c3cc(-c4c(C(C)C)cccc4C(C)C)ccn3)c2)n1
InChIInChI=1S/C49H54N2O.C48H52N2O/c1-31(2)40-19-15-20-41(32(3)4)47(40)35-22-23-50-43(27-35)33-16-14-17-34(24-33)44-28-37(29-45(51-44)42-18-12-13-21-46(42)52-11)36-25-38(48(5,6)7)30-39(26-36)49(8,9)10;1-30(2)39-18-14-19-40(31(3)4)46(39)34-21-22-49-42(26-34)32-15-13-16-33(23-32)43-27-36(28-44(50-43)41-17-11-12-20-45(41)51)35-24-37(47(5,6)7)29-38(25-35)48(8,9)10/h12-32H,1-11H3;11-31,51H,1-10H3
InChIKeyIIVILSKVTJHXOX-UHFFFAOYSA-N
MW1359.94 g/mol
LogP27.02
Rot. Bonds15

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

4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol (PubChem CID 158711936) has the molecular formula C97H106N4O2 and a molecular weight of 1359.94 g/mol. Its IUPAC name is 4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
PubChem CID158711936
Molecular FormulaC97H106N4O2
Molecular Weight1359.94 g/mol
Exact Mass1358.83
IUPAC Name4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
SMILESCC(C)c1cccc(C(C)C)c1-c1ccnc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4O)n3)c2)c1.COc1ccccc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cccc(-c3cc(-c4c(C(C)C)cccc4C(C)C)ccn3)c2)n1
InChIInChI=1S/C49H54N2O.C48H52N2O/c1-31(2)40-19-15-20-41(32(3)4)47(40)35-22-23-50-43(27-35)33-16-14-17-34(24-33)44-28-37(29-45(51-44)42-18-12-13-21-46(42)52-11)36-25-38(48(5,6)7)30-39(26-36)49(8,9)10;1-30(2)39-18-14-19-40(31(3)4)46(39)34-21-22-49-42(26-34)32-15-13-16-33(23-32)43-27-36(28-44(50-43)41-17-11-12-20-45(41)51)35-24-37(47(5,6)7)29-38(25-35)48(8,9)10/h12-32H,1-11H3;11-31,51H,1-10H3
InChIKeyIIVILSKVTJHXOX-UHFFFAOYSA-N
XLogP27.02
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001359.94
LogP ≤ 527.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol with MolForge

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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
1-[(4-Methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
CID 162655301
(1R,2S)-4-(dimethylamino)-1-(2-methoxy-6-pyridin-4-yl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 168285449
2,6-Bis(bis(2-pyridylmethyl)aminomethyl)-4-methylphenol
CID 11756790
2-[4-Fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine
CID 134833888
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

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol?
The IUPAC name of 4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol (CID 158711936) is 4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol is CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4O)n3)c2)c1.COc1ccccc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cccc(-c3cc(-c4c(C(C)C)cccc4C(C)C)ccn3)c2)n1.
What is the InChIKey of 4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol?
The InChIKey is IIVILSKVTJHXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H54N2O.C48H52N2O/c1-31(2)40-19-15-20-41(32(3)4)47(40)35-22-23-50-43(27-35)33-16-14-17-34(24-33)44-28-37(29-45(51-44)42-18-12-13-21-46(42)52-11)36-25-38(48(5,6)7)30-39(26-36)49(8,9)10;1-30(2)39-18-14-19-40(31(3)4)46(39)34-21-22-49-42(26-34)32-15-13-16-33(23-32)43-27-36(28-44(50-43)41-17-11-12-20-45(41)51)35-24-37(47(5,6)7)29-38(25-35)48(8,9)10/h12-32H,1-11H3;11-31,51H,1-10H3.
What are the key properties of 4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol?
4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol has a molecular weight of 1359.94 g/mol, XLogP of 27.02, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 158711936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).