N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline

C60H66N4 — CID 11286257

IUPACN-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
SMILESCc1cc(-c2ccccc2-c2cc(C)c(/N=C/c3ccccc3Nc3c(C(C)C)cccc3C(C)C)c(C)c2)cc(C)c1/N=C/c1ccccc1Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C60H66N4/c1-37(2)49-25-19-26-50(38(3)4)59(49)63-55-29-17-13-21-45(55)35-61-57-41(9)31-47(32-42(57)10)53-23-15-16-24-54(53)48-33-43(11)58(44(12)34-48)62-36-46-22-14-18-30-56(46)64-60-51(39(5)6)27-20-28-52(60)40(7)8/h13-40,63-64H,1-12H3/b61-35+,62-36+
InChIKeyDLMVBVUIVAYWLD-FICITMKSSA-N
MW843.22 g/mol
LogP17.74
Rot. Bonds14

About N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline

N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline (PubChem CID 11286257) has the molecular formula C60H66N4 and a molecular weight of 843.22 g/mol. Its IUPAC name is N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
PubChem CID11286257
Molecular FormulaC60H66N4
Molecular Weight843.22 g/mol
Exact Mass842.53
IUPAC NameN-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
SMILESCc1cc(-c2ccccc2-c2cc(C)c(/N=C/c3ccccc3Nc3c(C(C)C)cccc3C(C)C)c(C)c2)cc(C)c1/N=C/c1ccccc1Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C60H66N4/c1-37(2)49-25-19-26-50(38(3)4)59(49)63-55-29-17-13-21-45(55)35-61-57-41(9)31-47(32-42(57)10)53-23-15-16-24-54(53)48-33-43(11)58(44(12)34-48)62-36-46-22-14-18-30-56(46)64-60-51(39(5)6)27-20-28-52(60)40(7)8/h13-40,63-64H,1-12H3/b61-35+,62-36+
InChIKeyDLMVBVUIVAYWLD-FICITMKSSA-N
XLogP17.74
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.22
LogP ≤ 517.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline with MolForge

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Related Compounds

1-N,3-N-bis[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]benzene-1,3-diamine
CID 102530043
2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline
CID 102529108
N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
CID 102262356
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline
CID 101467698
2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline
CID 102395036
N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline
CID 87946949
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
CID 135431783
N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide
CID 102486072
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol
CID 136723302
N-(2-methylphosphanylphenyl)-2,6-di(propan-2-yl)aniline
CID 58961695
2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline
CID 129025660
N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline
CID 102518992

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline (CID 11286257) is N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline is Cc1cc(-c2ccccc2-c2cc(C)c(/N=C/c3ccccc3Nc3c(C(C)C)cccc3C(C)C)c(C)c2)cc(C)c1/N=C/c1ccccc1Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is DLMVBVUIVAYWLD-FICITMKSSA-N. The full InChI is InChI=1S/C60H66N4/c1-37(2)49-25-19-26-50(38(3)4)59(49)63-55-29-17-13-21-45(55)35-61-57-41(9)31-47(32-42(57)10)53-23-15-16-24-54(53)48-33-43(11)58(44(12)34-48)62-36-46-22-14-18-30-56(46)64-60-51(39(5)6)27-20-28-52(60)40(7)8/h13-40,63-64H,1-12H3/b61-35+,62-36+.
What are the key properties of N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline?
N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 843.22 g/mol, XLogP of 17.74, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 11286257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).