1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine

C49H52N4 — CID 101245464

IUPAC1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
SMILESCC(C)c1cc(Cc2cc(C(C)C)c(/N=C(\c3ccccc3)c3ccccn3)c(C(C)C)c2)cc(C(C)C)c1/N=C(\c1ccccc1)c1ccccn1
InChIInChI=1S/C49H52N4/c1-32(2)40-28-36(29-41(33(3)4)48(40)52-46(38-19-11-9-12-20-38)44-23-15-17-25-50-44)27-37-30-42(34(5)6)49(43(31-37)35(7)8)53-47(39-21-13-10-14-22-39)45-24-16-18-26-51-45/h9-26,28-35H,27H2,1-8H3/b52-46+,53-47+
InChIKeyGKVCRYUNKXQOIP-HXCKQWCNSA-N
MW696.98 g/mol
LogP12.90
Rot. Bonds12

About 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine

1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine (PubChem CID 101245464) has the molecular formula C49H52N4 and a molecular weight of 696.98 g/mol. Its IUPAC name is 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound Name1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
PubChem CID101245464
Molecular FormulaC49H52N4
Molecular Weight696.98 g/mol
Exact Mass696.42
IUPAC Name1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
SMILESCC(C)c1cc(Cc2cc(C(C)C)c(/N=C(\c3ccccc3)c3ccccn3)c(C(C)C)c2)cc(C(C)C)c1/N=C(\c1ccccc1)c1ccccn1
InChIInChI=1S/C49H52N4/c1-32(2)40-28-36(29-41(33(3)4)48(40)52-46(38-19-11-9-12-20-38)44-23-15-17-25-50-44)27-37-30-42(34(5)6)49(43(31-37)35(7)8)53-47(39-21-13-10-14-22-39)45-24-16-18-26-51-45/h9-26,28-35H,27H2,1-8H3/b52-46+,53-47+
InChIKeyGKVCRYUNKXQOIP-HXCKQWCNSA-N
XLogP12.90
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.98
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine with MolForge

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Related Compounds

N-(2-ethyl-6-propan-2-ylphenyl)-1-phenyl-1-pyridin-2-ylmethanimine
CID 142056339
1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine
CID 86041704
N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine
CID 11984252
1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine
CID 102238244
N-[4-[[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
CID 68745734
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
N-(2-tert-butyl-6-propan-2-ylphenyl)-1-[6-[N-(2-tert-butyl-6-propan-2-ylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
CID 90442403
cerium(3+);tris(N-oxido-1-phenyl-1-pyridin-2-ylmethanimine)
CID 50910437
cerium(3+);tris((E)-N-oxido-1-phenyl-1-pyridin-2-ylmethanimine);chloride
CID 54608591
(Z)-1-phenyl-N-phenylmethoxy-1-pyridin-2-ylmethanimine
CID 87293171
2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine
CID 139764297
N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline
CID 90750813

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine (CID 101245464) is 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine is CC(C)c1cc(Cc2cc(C(C)C)c(/N=C(\c3ccccc3)c3ccccn3)c(C(C)C)c2)cc(C(C)C)c1/N=C(\c1ccccc1)c1ccccn1.
What is the InChIKey of 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine?
The InChIKey is GKVCRYUNKXQOIP-HXCKQWCNSA-N. The full InChI is InChI=1S/C49H52N4/c1-32(2)40-28-36(29-41(33(3)4)48(40)52-46(38-19-11-9-12-20-38)44-23-15-17-25-50-44)27-37-30-42(34(5)6)49(43(31-37)35(7)8)53-47(39-21-13-10-14-22-39)45-24-16-18-26-51-45/h9-26,28-35H,27H2,1-8H3/b52-46+,53-47+.
What are the key properties of 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine?
1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine has a molecular weight of 696.98 g/mol, XLogP of 12.90, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 101245464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).