N-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine

C76H66F3N3O — CID 123840543

IUPACN-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine
SMILESCCCCc1ccc(N(c2ccc(C=Cc3ccc(N(c4ccc(C=Cc5ccc(N(c6ccc(CCCC)cc6)c6ccc7ccccc7c6)cc5)cc4)c4ccc(OCC(F)(F)F)cc4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C76H66F3N3O/c1-3-5-11-56-21-35-68(36-22-56)81(73-47-33-62-13-7-9-15-64(62)53-73)70-43-29-60(30-44-70)19-17-58-25-39-66(40-26-58)80(72-49-51-75(52-50-72)83-55-76(77,78)79)67-41-27-59(28-42-67)18-20-61-31-45-71(46-32-61)82(69-37-23-57(24-38-69)12-6-4-2)74-48-34-63-14-8-10-16-65(63)54-74/h7-10,13-54H,3-6,11-12,55H2,1-2H3
InChIKeySQPZJWKEYCTWPW-UHFFFAOYSA-N
MW1094.38 g/mol
LogP22.37
Rot. Bonds21

About N-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine

N-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine (PubChem CID 123840543) has the molecular formula C76H66F3N3O and a molecular weight of 1094.38 g/mol. Its IUPAC name is N-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine
PubChem CID123840543
Molecular FormulaC76H66F3N3O
Molecular Weight1094.38 g/mol
Exact Mass1093.52
IUPAC NameN-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine
SMILESCCCCc1ccc(N(c2ccc(C=Cc3ccc(N(c4ccc(C=Cc5ccc(N(c6ccc(CCCC)cc6)c6ccc7ccccc7c6)cc5)cc4)c4ccc(OCC(F)(F)F)cc4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C76H66F3N3O/c1-3-5-11-56-21-35-68(36-22-56)81(73-47-33-62-13-7-9-15-64(62)53-73)70-43-29-60(30-44-70)19-17-58-25-39-66(40-26-58)80(72-49-51-75(52-50-72)83-55-76(77,78)79)67-41-27-59(28-42-67)18-20-61-31-45-71(46-32-61)82(69-37-23-57(24-38-69)12-6-4-2)74-48-34-63-14-8-10-16-65(63)54-74/h7-10,13-54H,3-6,11-12,55H2,1-2H3
InChIKeySQPZJWKEYCTWPW-UHFFFAOYSA-N
XLogP22.37
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001094.38
LogP ≤ 522.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine (CID 123840543) is N-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine is CCCCc1ccc(N(c2ccc(C=Cc3ccc(N(c4ccc(C=Cc5ccc(N(c6ccc(CCCC)cc6)c6ccc7ccccc7c6)cc5)cc4)c4ccc(OCC(F)(F)F)cc4)cc3)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine?
The InChIKey is SQPZJWKEYCTWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H66F3N3O/c1-3-5-11-56-21-35-68(36-22-56)81(73-47-33-62-13-7-9-15-64(62)53-73)70-43-29-60(30-44-70)19-17-58-25-39-66(40-26-58)80(72-49-51-75(52-50-72)83-55-76(77,78)79)67-41-27-59(28-42-67)18-20-61-31-45-71(46-32-61)82(69-37-23-57(24-38-69)12-6-4-2)74-48-34-63-14-8-10-16-65(63)54-74/h7-10,13-54H,3-6,11-12,55H2,1-2H3.
What are the key properties of N-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine?
N-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine has a molecular weight of 1094.38 g/mol, XLogP of 22.37, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[4-[2-[4-(4-butyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino]phenyl]ethenyl]phenyl]-N-(4-butylphenyl)naphthalen-2-amine is sourced from PubChem (CID 123840543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).