N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine

C75H78N6 — CID 153438866

IUPACN-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine
SMILESCC(C)Cc1cc(-c2ccc(/N=C/C3(C)CC(C)(/C=N/c4ccc(-c5cc(CC(C)C)c(-c6ccccc6)cn5)cc4)CC(C)(/C=N/c4ccc(-c5cc(CC(C)C)c(-c6ccccc6)cn5)cc4)C3)cc2)ncc1-c1ccccc1
InChIInChI=1S/C75H78N6/c1-52(2)37-61-40-70(76-43-67(61)55-19-13-10-14-20-55)58-25-31-64(32-26-58)79-49-73(7)46-74(8,50-80-65-33-27-59(28-34-65)71-41-62(38-53(3)4)68(44-77-71)56-21-15-11-16-22-56)48-75(9,47-73)51-81-66-35-29-60(30-36-66)72-42-63(39-54(5)6)69(45-78-72)57-23-17-12-18-24-57/h10-36,40-45,49-54H,37-39,46-48H2,1-9H3/b79-49+,80-50+,81-51+
InChIKeyYJKOYGKMVFSHSK-UGRPQOLASA-N
MW1063.49 g/mol
LogP20.18
Rot. Bonds18

About N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine

N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine (PubChem CID 153438866) has the molecular formula C75H78N6 and a molecular weight of 1063.49 g/mol. Its IUPAC name is N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine.

Molecular Properties

Compound NameN-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine
PubChem CID153438866
Molecular FormulaC75H78N6
Molecular Weight1063.49 g/mol
Exact Mass1062.63
IUPAC NameN-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine
SMILESCC(C)Cc1cc(-c2ccc(/N=C/C3(C)CC(C)(/C=N/c4ccc(-c5cc(CC(C)C)c(-c6ccccc6)cn5)cc4)CC(C)(/C=N/c4ccc(-c5cc(CC(C)C)c(-c6ccccc6)cn5)cc4)C3)cc2)ncc1-c1ccccc1
InChIInChI=1S/C75H78N6/c1-52(2)37-61-40-70(76-43-67(61)55-19-13-10-14-20-55)58-25-31-64(32-26-58)79-49-73(7)46-74(8,50-80-65-33-27-59(28-34-65)71-41-62(38-53(3)4)68(44-77-71)56-21-15-11-16-22-56)48-75(9,47-73)51-81-66-35-29-60(30-36-66)72-42-63(39-54(5)6)69(45-78-72)57-23-17-12-18-24-57/h10-36,40-45,49-54H,37-39,46-48H2,1-9H3/b79-49+,80-50+,81-51+
InChIKeyYJKOYGKMVFSHSK-UGRPQOLASA-N
XLogP20.18
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.49
LogP ≤ 520.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine with MolForge

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Related Compounds

CID 140765379
CID 140765379
4-(2-methylpropyl)-5-(1-methylsiletan-1-yl)-2-phenylpyridine
CID 140728004
dimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-phenylsilane
CID 140720405
7-(2-methylpropyl)-3-phenylisoquinoline
CID 170528428
2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine
CID 162710408
deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane
CID 159672658
5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine
CID 140789867
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
5-[2-[3,5-bis[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine
CID 165149153
2-(2-ethenylphenyl)-4-ethyl-5-phenylpyridine
CID 144512518
2-(4-chlorophenyl)-5-ethyl-4-phenylpyridine
CID 171405080

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine?
The IUPAC name of N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine (CID 153438866) is N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine.
What is the SMILES notation for N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine?
The canonical SMILES for N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine is CC(C)Cc1cc(-c2ccc(/N=C/C3(C)CC(C)(/C=N/c4ccc(-c5cc(CC(C)C)c(-c6ccccc6)cn5)cc4)CC(C)(/C=N/c4ccc(-c5cc(CC(C)C)c(-c6ccccc6)cn5)cc4)C3)cc2)ncc1-c1ccccc1.
What is the InChIKey of N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine?
The InChIKey is YJKOYGKMVFSHSK-UGRPQOLASA-N. The full InChI is InChI=1S/C75H78N6/c1-52(2)37-61-40-70(76-43-67(61)55-19-13-10-14-20-55)58-25-31-64(32-26-58)79-49-73(7)46-74(8,50-80-65-33-27-59(28-34-65)71-41-62(38-53(3)4)68(44-77-71)56-21-15-11-16-22-56)48-75(9,47-73)51-81-66-35-29-60(30-36-66)72-42-63(39-54(5)6)69(45-78-72)57-23-17-12-18-24-57/h10-36,40-45,49-54H,37-39,46-48H2,1-9H3/b79-49+,80-50+,81-51+.
What are the key properties of N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine?
N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine has a molecular weight of 1063.49 g/mol, XLogP of 20.18, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine is sourced from PubChem (CID 153438866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).