1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine

C43H47N3 — CID 59989534

IUPAC1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine
SMILESCCN(CC)c1ccc(C=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C=Cc4ccccc4)cc3)cc2)c(N(CC)CC)c1
InChIInChI=1S/C43H47N3/c1-6-44(7-2)42-32-25-38(43(33-42)45(8-3)9-4)24-19-37-22-30-41(31-23-37)46(39-26-15-34(5)16-27-39)40-28-20-36(21-29-40)18-17-35-13-11-10-12-14-35/h10-33H,6-9H2,1-5H3
InChIKeyJZTHQXDOUWRSAW-UHFFFAOYSA-N
MW605.87 g/mol
LogP11.50
Rot. Bonds13

About 1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine

1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine (PubChem CID 59989534) has the molecular formula C43H47N3 and a molecular weight of 605.87 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine
PubChem CID59989534
Molecular FormulaC43H47N3
Molecular Weight605.87 g/mol
Exact Mass605.38
IUPAC Name1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine
SMILESCCN(CC)c1ccc(C=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C=Cc4ccccc4)cc3)cc2)c(N(CC)CC)c1
InChIInChI=1S/C43H47N3/c1-6-44(7-2)42-32-25-38(43(33-42)45(8-3)9-4)24-19-37-22-30-41(31-23-37)46(39-26-15-34(5)16-27-39)40-28-20-36(21-29-40)18-17-35-13-11-10-12-14-35/h10-33H,6-9H2,1-5H3
InChIKeyJZTHQXDOUWRSAW-UHFFFAOYSA-N
XLogP11.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.87
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-[(E)-2-[4-(N-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]-4-methylanilino)phenyl]ethenyl]-1-N,1-N,3-N,3-N-tetraethylbenzene-1,3-diamine
CID 20761133
N,N-diethyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 58518835
1-N,3-N-bis(4-methylphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-N,3-N-bis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 121368155
1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3,5-triamine
CID 121421564
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59920498
3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline
CID 59805392
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-methyl-N-[4-[(E)-2-[2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 67043605
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 59989521
4-methyl-N-[4-[(E)-2-[3-methyl-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 20734404
3-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine (CID 59989534) is 1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine is CCN(CC)c1ccc(C=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C=Cc4ccccc4)cc3)cc2)c(N(CC)CC)c1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine?
The InChIKey is JZTHQXDOUWRSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47N3/c1-6-44(7-2)42-32-25-38(43(33-42)45(8-3)9-4)24-19-37-22-30-41(31-23-37)46(39-26-15-34(5)16-27-39)40-28-20-36(21-29-40)18-17-35-13-11-10-12-14-35/h10-33H,6-9H2,1-5H3.
What are the key properties of 1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine?
1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine has a molecular weight of 605.87 g/mol, XLogP of 11.50, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine is sourced from PubChem (CID 59989534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).