4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine

C52H44F6N4 — CID 58932016

About 4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine

4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine (PubChem CID 58932016) has the molecular formula C52H44F6N4 and a molecular weight of 838.94 g/mol. Its IUPAC name is 4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine
• PubChem CID: 58932016
• Molecular Formula: C52H44F6N4
• Molecular Weight: 838.94 g/mol
• Exact Mass: 838.35
• IUPAC Name: 4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine
• SMILES: CN(C)c1ccc(N(c2ccccc2)c2ccc(C=Cc3cc(C(F)(F)F)c(C=Cc4ccc(N(c5ccccc5)c5ccc(N(C)C)cc5)cc4)cc3C(F)(F)F)cc2)cc1
• InChI: InChI=1S/C52H44F6N4/c1-59(2)41-27-31-47(32-28-41)61(43-11-7-5-8-12-43)45-23-17-37(18-24-45)15-21-39-35-50(52(56,57)58)40(36-49(39)51(53,54)55)22-16-38-19-25-46(26-20-38)62(44-13-9-6-10-14-44)48-33-29-42(30-34-48)60(3)4/h5-36H,1-4H3
• InChIKey: UCQXKWDUFBEPIT-UHFFFAOYSA-N
• XLogP: 15.14
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.94
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine?

The IUPAC name of 4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine (CID 58932016) is 4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine.

What is the SMILES notation for 4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine?

The canonical SMILES for 4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine is CN(C)c1ccc(N(c2ccccc2)c2ccc(C=Cc3cc(C(F)(F)F)c(C=Cc4ccc(N(c5ccccc5)c5ccc(N(C)C)cc5)cc4)cc3C(F)(F)F)cc2)cc1.

What is the InChIKey of 4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine?

The InChIKey is UCQXKWDUFBEPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44F6N4/c1-59(2)41-27-31-47(32-28-41)61(43-11-7-5-8-12-43)45-23-17-37(18-24-45)15-21-39-35-50(52(56,57)58)40(36-49(39)51(53,54)55)22-16-38-19-25-46(26-20-38)62(44-13-9-6-10-14-44)48-33-29-42(30-34-48)60(3)4/h5-36H,1-4H3.

What are the key properties of 4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine?

4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine has a molecular weight of 838.94 g/mol, XLogP of 15.14, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 58932016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).