N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine

C48H48N2 — CID 11331952

IUPACN,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine
SMILESCc1cc([C@@H](C)c2ccccc2)c(/N=C/C=N/c2c([C@@H](C)c3ccccc3)cc(C)cc2[C@@H](C)c2ccccc2)c([C@@H](C)c2ccccc2)c1
InChIInChI=1S/C48H48N2/c1-33-29-43(35(3)39-19-11-7-12-20-39)47(44(30-33)36(4)40-21-13-8-14-22-40)49-27-28-50-48-45(37(5)41-23-15-9-16-24-41)31-34(2)32-46(48)38(6)42-25-17-10-18-26-42/h7-32,35-38H,1-6H3/b49-27+,50-28+/t35-,36-,37-,38-/m0/s1
InChIKeyJAMNINDRPHCIDB-RNGAGJSKSA-N
MW652.93 g/mol
LogP13.02
Rot. Bonds11

About N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine

N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine (PubChem CID 11331952) has the molecular formula C48H48N2 and a molecular weight of 652.93 g/mol. Its IUPAC name is N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine
PubChem CID11331952
Molecular FormulaC48H48N2
Molecular Weight652.93 g/mol
Exact Mass652.38
IUPAC NameN,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine
SMILESCc1cc([C@@H](C)c2ccccc2)c(/N=C/C=N/c2c([C@@H](C)c3ccccc3)cc(C)cc2[C@@H](C)c2ccccc2)c([C@@H](C)c2ccccc2)c1
InChIInChI=1S/C48H48N2/c1-33-29-43(35(3)39-19-11-7-12-20-39)47(44(30-33)36(4)40-21-13-8-14-22-40)49-27-28-50-48-45(37(5)41-23-15-9-16-24-41)31-34(2)32-46(48)38(6)42-25-17-10-18-26-42/h7-32,35-38H,1-6H3/b49-27+,50-28+/t35-,36-,37-,38-/m0/s1
InChIKeyJAMNINDRPHCIDB-RNGAGJSKSA-N
XLogP13.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.93
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
CID 162252807
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
4-methyl-2-(1-phenylethyl)benzenethiol
CID 24822888
4,5-dimethyl-1,3-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-2H-imidazole
CID 178184490
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
CID 166445948
CID 166445948
4-methyl-2-phenyl-1-(1-phenylethyl)benzene
CID 123164572
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine?
The IUPAC name of N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine (CID 11331952) is N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine.
What is the SMILES notation for N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine?
The canonical SMILES for N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine is Cc1cc([C@@H](C)c2ccccc2)c(/N=C/C=N/c2c([C@@H](C)c3ccccc3)cc(C)cc2[C@@H](C)c2ccccc2)c([C@@H](C)c2ccccc2)c1.
What is the InChIKey of N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine?
The InChIKey is JAMNINDRPHCIDB-RNGAGJSKSA-N. The full InChI is InChI=1S/C48H48N2/c1-33-29-43(35(3)39-19-11-7-12-20-39)47(44(30-33)36(4)40-21-13-8-14-22-40)49-27-28-50-48-45(37(5)41-23-15-9-16-24-41)31-34(2)32-46(48)38(6)42-25-17-10-18-26-42/h7-32,35-38H,1-6H3/b49-27+,50-28+/t35-,36-,37-,38-/m0/s1.
What are the key properties of N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine?
N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine has a molecular weight of 652.93 g/mol, XLogP of 13.02, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine is sourced from PubChem (CID 11331952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).