2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine

C59H69N — CID 175988123

IUPAC2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine
SMILESCc1ccc(-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2)c(-c2cccc(-c3cc(C)ccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3)n2)c1
InChIInChI=1S/C59H69N/c1-36-12-14-50(44-24-46(56(3,4)5)28-48(26-44)58-30-38-18-39(31-58)20-40(19-38)32-58)52(16-36)54-10-9-11-55(60-54)53-17-37(2)13-15-51(53)45-25-47(57(6,7)8)29-49(27-45)59-33-41-21-42(34-59)23-43(22-41)35-59/h9-17,24-29,38-43H,18-23,30-35H2,1-8H3
InChIKeyVXBUTTWQOPYEOU-UHFFFAOYSA-N
MW792.21 g/mol
LogP15.90
Rot. Bonds6

About 2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine

2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine (PubChem CID 175988123) has the molecular formula C59H69N and a molecular weight of 792.21 g/mol. Its IUPAC name is 2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine.

Molecular Properties

Compound Name2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine
PubChem CID175988123
Molecular FormulaC59H69N
Molecular Weight792.21 g/mol
Exact Mass791.54
IUPAC Name2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine
SMILESCc1ccc(-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2)c(-c2cccc(-c3cc(C)ccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3)n2)c1
InChIInChI=1S/C59H69N/c1-36-12-14-50(44-24-46(56(3,4)5)28-48(26-44)58-30-38-18-39(31-58)20-40(19-38)32-58)52(16-36)54-10-9-11-55(60-54)53-17-37(2)13-15-51(53)45-25-47(57(6,7)8)29-49(27-45)59-33-41-21-42(34-59)23-43(22-41)35-59/h9-17,24-29,38-43H,18-23,30-35H2,1-8H3
InChIKeyVXBUTTWQOPYEOU-UHFFFAOYSA-N
XLogP15.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.21
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine
CID 175988132
4-tert-butyl-2-[2-[6-[2-[3-tert-butyl-5-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-5-methylphenyl]-4-methoxy-2-pyridinyl]-4-methylphenyl]-6-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenol
CID 155062539
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-methyl-2-oxidophenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-methylphenolate;carbanide;hafnium(4+)
CID 175694416
1-[3-tert-butyl-5-(4-propan-2-ylphenyl)phenyl]adamantane
CID 175988138
2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol
CID 155058199
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium
CID 159174215
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-methoxy-2-pyridinyl]-4-methylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-fluoro-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-fluorophenol;carbanide;hafnium;zirconium
CID 159130423
1-[4-(3-tert-butyl-5-phenylphenyl)phenyl]adamantane
CID 168808380
2-[2-[3-(1-adamantyl)-2-methoxy-5-methylphenyl]-5-methylphenyl]-6-[2-[3-(2-adamantyl)-2-methoxy-5-methylphenyl]-5-methylphenyl]pyridine;carbanide;zirconium(2+)
CID 174049529
1-[4-(3-tert-butylphenyl)naphthalen-1-yl]adamantane
CID 168808398
2,6-bis(3,5-ditert-butylphenyl)pyridine
CID 102450802
1-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]adamantane
CID 170924975

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine?
The IUPAC name of 2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine (CID 175988123) is 2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine.
What is the SMILES notation for 2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine?
The canonical SMILES for 2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine is Cc1ccc(-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2)c(-c2cccc(-c3cc(C)ccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3)n2)c1.
What is the InChIKey of 2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine?
The InChIKey is VXBUTTWQOPYEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H69N/c1-36-12-14-50(44-24-46(56(3,4)5)28-48(26-44)58-30-38-18-39(31-58)20-40(19-38)32-58)52(16-36)54-10-9-11-55(60-54)53-17-37(2)13-15-51(53)45-25-47(57(6,7)8)29-49(27-45)59-33-41-21-42(34-59)23-43(22-41)35-59/h9-17,24-29,38-43H,18-23,30-35H2,1-8H3.
What are the key properties of 2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine?
2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine has a molecular weight of 792.21 g/mol, XLogP of 15.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine is sourced from PubChem (CID 175988123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).