N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline

C90H87N3 — CID 58596533

IUPACN-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1N(/C=C1/CCCc2ccccc21)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(/C=C4\CCCc5ccccc54)c4c(C)cccc4CC)cc3)cc(/C=C/c3ccc(N(/C=C4\CCCc5ccccc54)c4c(C)cccc4CC)cc3)c2)cc1
InChIInChI=1S/C90H87N3/c1-7-73-28-16-22-64(4)88(73)91(61-79-34-19-31-76-25-10-13-37-85(76)79)82-52-46-67(47-53-82)40-43-70-58-71(44-41-68-48-54-83(55-49-68)92(89-65(5)23-17-29-74(89)8-2)62-80-35-20-32-77-26-11-14-38-86(77)80)60-72(59-70)45-42-69-50-56-84(57-51-69)93(90-66(6)24-18-30-75(90)9-3)63-81-36-21-33-78-27-12-15-39-87(78)81/h10-18,22-30,37-63H,7-9,19-21,31-36H2,1-6H3/b43-40+,44-41+,45-42+,79-61-,80-62+,81-63+
InChIKeyKSOBZCBEMGOEFV-XVQDHHGMSA-N
MW1210.71 g/mol
LogP24.36
Rot. Bonds18

About N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline

N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline (PubChem CID 58596533) has the molecular formula C90H87N3 and a molecular weight of 1210.71 g/mol. Its IUPAC name is N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline
PubChem CID58596533
Molecular FormulaC90H87N3
Molecular Weight1210.71 g/mol
Exact Mass1209.69
IUPAC NameN-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1N(/C=C1/CCCc2ccccc21)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(/C=C4\CCCc5ccccc54)c4c(C)cccc4CC)cc3)cc(/C=C/c3ccc(N(/C=C4\CCCc5ccccc54)c4c(C)cccc4CC)cc3)c2)cc1
InChIInChI=1S/C90H87N3/c1-7-73-28-16-22-64(4)88(73)91(61-79-34-19-31-76-25-10-13-37-85(76)79)82-52-46-67(47-53-82)40-43-70-58-71(44-41-68-48-54-83(55-49-68)92(89-65(5)23-17-29-74(89)8-2)62-80-35-20-32-77-26-11-14-38-86(77)80)60-72(59-70)45-42-69-50-56-84(57-51-69)93(90-66(6)24-18-30-75(90)9-3)63-81-36-21-33-78-27-12-15-39-87(78)81/h10-18,22-30,37-63H,7-9,19-21,31-36H2,1-6H3/b43-40+,44-41+,45-42+,79-61-,80-62+,81-63+
InChIKeyKSOBZCBEMGOEFV-XVQDHHGMSA-N
XLogP24.36
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001210.71
LogP ≤ 524.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline?
The IUPAC name of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline (CID 58596533) is N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline?
The canonical SMILES for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline is CCc1cccc(C)c1N(/C=C1/CCCc2ccccc21)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(/C=C4\CCCc5ccccc54)c4c(C)cccc4CC)cc3)cc(/C=C/c3ccc(N(/C=C4\CCCc5ccccc54)c4c(C)cccc4CC)cc3)c2)cc1.
What is the InChIKey of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline?
The InChIKey is KSOBZCBEMGOEFV-XVQDHHGMSA-N. The full InChI is InChI=1S/C90H87N3/c1-7-73-28-16-22-64(4)88(73)91(61-79-34-19-31-76-25-10-13-37-85(76)79)82-52-46-67(47-53-82)40-43-70-58-71(44-41-68-48-54-83(55-49-68)92(89-65(5)23-17-29-74(89)8-2)62-80-35-20-32-77-26-11-14-38-86(77)80)60-72(59-70)45-42-69-50-56-84(57-51-69)93(90-66(6)24-18-30-75(90)9-3)63-81-36-21-33-78-27-12-15-39-87(78)81/h10-18,22-30,37-63H,7-9,19-21,31-36H2,1-6H3/b43-40+,44-41+,45-42+,79-61-,80-62+,81-63+.
What are the key properties of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline?
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline has a molecular weight of 1210.71 g/mol, XLogP of 24.36, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline is sourced from PubChem (CID 58596533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).