2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine

C40H39NO2 — CID 118642792

IUPAC2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine
SMILESCOc1ccc(C(C)(C)c2ccccc2)cc1C(=C=Nc1ccccc1)c1cc(C(C)(C)c2ccccc2)ccc1OC
InChIInChI=1S/C40H39NO2/c1-39(2,29-16-10-7-11-17-29)31-22-24-37(42-5)34(26-31)36(28-41-33-20-14-9-15-21-33)35-27-32(23-25-38(35)43-6)40(3,4)30-18-12-8-13-19-30/h7-27H,1-6H3
InChIKeyBJHQGDIWEJSDNY-UHFFFAOYSA-N
MW565.76 g/mol
LogP9.79
Rot. Bonds9

About 2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine

2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine (PubChem CID 118642792) has the molecular formula C40H39NO2 and a molecular weight of 565.76 g/mol. Its IUPAC name is 2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine.

Molecular Properties

Compound Name2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine
PubChem CID118642792
Molecular FormulaC40H39NO2
Molecular Weight565.76 g/mol
Exact Mass565.30
IUPAC Name2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine
SMILESCOc1ccc(C(C)(C)c2ccccc2)cc1C(=C=Nc1ccccc1)c1cc(C(C)(C)c2ccccc2)ccc1OC
InChIInChI=1S/C40H39NO2/c1-39(2,29-16-10-7-11-17-29)31-22-24-37(42-5)34(26-31)36(28-41-33-20-14-9-15-21-33)35-27-32(23-25-38(35)43-6)40(3,4)30-18-12-8-13-19-30/h7-27H,1-6H3
InChIKeyBJHQGDIWEJSDNY-UHFFFAOYSA-N
XLogP9.79
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.76
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,17,29-Tritert-butyl-38,40,42-trimethoxy-37,39,41-tris[(3-nitrophenyl)methoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene
CID 16129915
1,2-bis(4-methoxyphenyl)-N,N'-diphenylethane-1,2-diimine
CID 416207
Tris-(4'-methoxybiphenyl-4-yl)-amine
CID 59196803
[4-[1,1,1,3,3,3-Hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
CID 118642817
2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-N,2-diphenylethenimine
CID 118643078
methyl N-[4-[4-[1,1,1-trifluoro-2-[4-[4-[[methoxy(phenyl)methylidene]amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzenecarboximidate
CID 122577802
4-[4-[1-[4-(4-Amino-2-fluorophenoxy)-3-tert-butylphenyl]cyclohexyl]-2-tert-butylphenoxy]-3-fluoroaniline
CID 139899825
aniline;2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenylethenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-N,2-diphenylethenimine
CID 144704048
11,17,23-Tritert-butyl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-amine
CID 11527884
N-[2-[bis(4-methoxyphenyl)methyl]phenyl]-2,2-diphenylethenimine
CID 49794334
5,11,17,23-Tetratert-butyl-31,32,33,34,35-pentamethoxy-29-nitrohexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 134853265
5-Azido-11,17,23,29-tetratert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene
CID 134853617

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine?
The IUPAC name of 2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine (CID 118642792) is 2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine.
What is the SMILES notation for 2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine?
The canonical SMILES for 2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine is COc1ccc(C(C)(C)c2ccccc2)cc1C(=C=Nc1ccccc1)c1cc(C(C)(C)c2ccccc2)ccc1OC.
What is the InChIKey of 2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine?
The InChIKey is BJHQGDIWEJSDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39NO2/c1-39(2,29-16-10-7-11-17-29)31-22-24-37(42-5)34(26-31)36(28-41-33-20-14-9-15-21-33)35-27-32(23-25-38(35)43-6)40(3,4)30-18-12-8-13-19-30/h7-27H,1-6H3.
What are the key properties of 2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine?
2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine has a molecular weight of 565.76 g/mol, XLogP of 9.79, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine is sourced from PubChem (CID 118642792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).