ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline

C49H58N2 — CID 144730990

IUPACethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
SMILESCC.CC/C(=C\C=C(C)C)N(c1ccc(C)cc1)c1ccc(C2(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)CCCCC2)cc1
InChIInChI=1S/C47H52N2.C2H6/c1-7-41(22-11-35(2)3)48(42-23-12-36(4)13-24-42)45-29-18-39(19-30-45)47(33-9-8-10-34-47)40-20-31-46(32-21-40)49(43-25-14-37(5)15-26-43)44-27-16-38(6)17-28-44;1-2/h11-32H,7-10,33-34H2,1-6H3;1-2H3/b41-22+;
InChIKeyOWGAOBMBTNOWCA-UIUUTFMXSA-N
MW675.02 g/mol
LogP14.76
Rot. Bonds10

About ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline

ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline (PubChem CID 144730990) has the molecular formula C49H58N2 and a molecular weight of 675.02 g/mol. Its IUPAC name is ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Nameethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
PubChem CID144730990
Molecular FormulaC49H58N2
Molecular Weight675.02 g/mol
Exact Mass674.46
IUPAC Nameethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
SMILESCC.CC/C(=C\C=C(C)C)N(c1ccc(C)cc1)c1ccc(C2(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)CCCCC2)cc1
InChIInChI=1S/C47H52N2.C2H6/c1-7-41(22-11-35(2)3)48(42-23-12-36(4)13-24-42)45-29-18-39(19-30-45)47(33-9-8-10-34-47)40-20-31-46(32-21-40)49(43-25-14-37(5)15-26-43)44-27-16-38(6)17-28-44;1-2/h11-32H,7-10,33-34H2,1-6H3;1-2H3/b41-22+;
InChIKeyOWGAOBMBTNOWCA-UIUUTFMXSA-N
XLogP14.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.02
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline?
The IUPAC name of ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline (CID 144730990) is ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline.
What is the SMILES notation for ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline?
The canonical SMILES for ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline is CC.CC/C(=C\C=C(C)C)N(c1ccc(C)cc1)c1ccc(C2(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)CCCCC2)cc1.
What is the InChIKey of ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline?
The InChIKey is OWGAOBMBTNOWCA-UIUUTFMXSA-N. The full InChI is InChI=1S/C47H52N2.C2H6/c1-7-41(22-11-35(2)3)48(42-23-12-36(4)13-24-42)45-29-18-39(19-30-45)47(33-9-8-10-34-47)40-20-31-46(32-21-40)49(43-25-14-37(5)15-26-43)44-27-16-38(6)17-28-44;1-2/h11-32H,7-10,33-34H2,1-6H3;1-2H3/b41-22+;.
What are the key properties of ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline?
ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 675.02 g/mol, XLogP of 14.76, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 144730990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).