4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline

C63H60N2O4 — CID 10898275

IUPAC4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCCCC1(CCC)c2cc(/C=C/c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)ccc2-c2ccc(/C=C/c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc21
InChIInChI=1S/C63H60N2O4/c1-7-41-63(42-8-2)61-43-47(11-9-45-13-19-49(20-14-45)64(51-23-31-55(66-3)32-24-51)52-25-33-56(67-4)34-26-52)17-39-59(61)60-40-18-48(44-62(60)63)12-10-46-15-21-50(22-16-46)65(53-27-35-57(68-5)36-28-53)54-29-37-58(69-6)38-30-54/h9-40,43-44H,7-8,41-42H2,1-6H3/b11-9+,12-10+
InChIKeyGJJKWBUIKXSBLI-WGDLNXRISA-N
MW909.18 g/mol
LogP16.87
Rot. Bonds18

About 4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline

4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline (PubChem CID 10898275) has the molecular formula C63H60N2O4 and a molecular weight of 909.18 g/mol. Its IUPAC name is 4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
PubChem CID10898275
Molecular FormulaC63H60N2O4
Molecular Weight909.18 g/mol
Exact Mass908.46
IUPAC Name4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCCCC1(CCC)c2cc(/C=C/c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)ccc2-c2ccc(/C=C/c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc21
InChIInChI=1S/C63H60N2O4/c1-7-41-63(42-8-2)61-43-47(11-9-45-13-19-49(20-14-45)64(51-23-31-55(66-3)32-24-51)52-25-33-56(67-4)34-26-52)17-39-59(61)60-40-18-48(44-62(60)63)12-10-46-15-21-50(22-16-46)65(53-27-35-57(68-5)36-28-53)54-29-37-58(69-6)38-30-54/h9-40,43-44H,7-8,41-42H2,1-6H3/b11-9+,12-10+
InChIKeyGJJKWBUIKXSBLI-WGDLNXRISA-N
XLogP16.87
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.18
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline with MolForge

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Related Compounds

4-[(E)-2-[9,9-dihexyl-7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]fluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 102326993
N-(4-methoxyphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-methoxyphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 59246029
9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 101407197
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline
CID 139258639
5-[(E)-2-[7-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-1,3-benzodioxole
CID 58596356
7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59246492
7-[(E)-2-[7-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101497253
2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol
CID 139258640
7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 59246059
9,9-dibutyl-2,7-bis[(E)-2-(4-methylphenyl)ethenyl]fluorene
CID 122221081
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine
CID 89075111

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
The IUPAC name of 4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline (CID 10898275) is 4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
The canonical SMILES for 4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline is CCCC1(CCC)c2cc(/C=C/c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)ccc2-c2ccc(/C=C/c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc21.
What is the InChIKey of 4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
The InChIKey is GJJKWBUIKXSBLI-WGDLNXRISA-N. The full InChI is InChI=1S/C63H60N2O4/c1-7-41-63(42-8-2)61-43-47(11-9-45-13-19-49(20-14-45)64(51-23-31-55(66-3)32-24-51)52-25-33-56(67-4)34-26-52)17-39-59(61)60-40-18-48(44-62(60)63)12-10-46-15-21-50(22-16-46)65(53-27-35-57(68-5)36-28-53)54-29-37-58(69-6)38-30-54/h9-40,43-44H,7-8,41-42H2,1-6H3/b11-9+,12-10+.
What are the key properties of 4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline has a molecular weight of 909.18 g/mol, XLogP of 16.87, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline is sourced from PubChem (CID 10898275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).