N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline

C89H85N3 — CID 158670691

IUPACN-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline
SMILESCCc1ccc(N(C=C(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(CC)cc2)cc1.CCc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc(C(=CN(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H33N.C29H27N.C28H25N/c1-5-26-11-19-30(20-12-26)33(31-21-13-27(6-2)14-22-31)23-32(28-15-7-24(3)8-16-28)29-17-9-25(4)10-18-29;1-3-24-16-20-28(21-17-24)30(27-18-14-23(2)15-19-27)22-29(25-10-6-4-7-11-25)26-12-8-5-9-13-26;1-22-13-17-24(18-14-22)28(25-19-15-23(2)16-20-25)21-29(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h7-23H,5-6H2,1-4H3;4-22H,3H2,1-2H3;3-21H,1-2H3
InChIKeyIDXJWAIUBJJNFJ-UHFFFAOYSA-N
MW1196.68 g/mol
LogP23.97
Rot. Bonds18

About N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline

N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline (PubChem CID 158670691) has the molecular formula C89H85N3 and a molecular weight of 1196.68 g/mol. Its IUPAC name is N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline.

Molecular Properties

Compound NameN-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline
PubChem CID158670691
Molecular FormulaC89H85N3
Molecular Weight1196.68 g/mol
Exact Mass1195.67
IUPAC NameN-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline
SMILESCCc1ccc(N(C=C(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(CC)cc2)cc1.CCc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc(C(=CN(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H33N.C29H27N.C28H25N/c1-5-26-11-19-30(20-12-26)33(31-21-13-27(6-2)14-22-31)23-32(28-15-7-24(3)8-16-28)29-17-9-25(4)10-18-29;1-3-24-16-20-28(21-17-24)30(27-18-14-23(2)15-19-27)22-29(25-10-6-4-7-11-25)26-12-8-5-9-13-26;1-22-13-17-24(18-14-22)28(25-19-15-23(2)16-20-25)21-29(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h7-23H,5-6H2,1-4H3;4-22H,3H2,1-2H3;3-21H,1-2H3
InChIKeyIDXJWAIUBJJNFJ-UHFFFAOYSA-N
XLogP23.97
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001196.68
LogP ≤ 523.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}

Analyze N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline with MolForge

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Related Compounds

N-[4-[4-(2,4-dimethyl-N-[(E)-2-[4-[[4-(N-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl]phenyl]-2-phenylethenyl]anilino)phenyl]phenyl]-N-(2,2-diphenylethenyl)-2,4-dimethylaniline
CID 130325250
N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452
[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]methanol;[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]methanol
CID 159917038
4-[4-[(Z)-2-(4-ethylphenyl)-1-phenyl-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]-N,N-diphenylaniline
CID 134394669
N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline
CID 59408570
N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline
CID 23517958
N-[2,2-bis(4-bromophenyl)ethenyl]-4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-phenylaniline
CID 23517941
N-(2,2-diphenylethenyl)-N-(4-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 142733388
ethane;4-ethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 91530733
N-[2,2-bis(4-methylphenyl)ethenyl]-4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-(4-methoxyphenyl)aniline
CID 23517965
N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline
CID 59408569
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline?
The IUPAC name of N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline (CID 158670691) is N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline.
What is the SMILES notation for N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline?
The canonical SMILES for N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline is CCc1ccc(N(C=C(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(CC)cc2)cc1.CCc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc(C(=CN(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline?
The InChIKey is IDXJWAIUBJJNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N.C29H27N.C28H25N/c1-5-26-11-19-30(20-12-26)33(31-21-13-27(6-2)14-22-31)23-32(28-15-7-24(3)8-16-28)29-17-9-25(4)10-18-29;1-3-24-16-20-28(21-17-24)30(27-18-14-23(2)15-19-27)22-29(25-10-6-4-7-11-25)26-12-8-5-9-13-26;1-22-13-17-24(18-14-22)28(25-19-15-23(2)16-20-25)21-29(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h7-23H,5-6H2,1-4H3;4-22H,3H2,1-2H3;3-21H,1-2H3.
What are the key properties of N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline?
N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline has a molecular weight of 1196.68 g/mol, XLogP of 23.97, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline is sourced from PubChem (CID 158670691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).