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

C69H72N2O4 — CID 102326993

IUPAC4-[(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
SMILESCCCCCCC1(CCCCCC)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/C69H72N2O4/c1-7-9-11-13-47-69(48-14-12-10-8-2)67-49-53(17-15-51-19-25-55(26-20-51)70(57-29-37-61(72-3)38-30-57)58-31-39-62(73-4)40-32-58)23-45-65(67)66-46-24-54(50-68(66)69)18-16-52-21-27-56(28-22-52)71(59-33-41-63(74-5)42-34-59)60-35-43-64(75-6)44-36-60/h15-46,49-50H,7-14,47-48H2,1-6H3/b17-15+,18-16+
InChIKeyAXQADTNHQHORJT-YTEMWHBBSA-N
MW993.35 g/mol
LogP19.21
Rot. Bonds24

About 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

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 (PubChem CID 102326993) has the molecular formula C69H72N2O4 and a molecular weight of 993.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID102326993
Molecular FormulaC69H72N2O4
Molecular Weight993.35 g/mol
Exact Mass992.55
IUPAC Name4-[(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
SMILESCCCCCCC1(CCCCCC)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/C69H72N2O4/c1-7-9-11-13-47-69(48-14-12-10-8-2)67-49-53(17-15-51-19-25-55(26-20-51)70(57-29-37-61(72-3)38-30-57)58-31-39-62(73-4)40-32-58)23-45-65(67)66-46-24-54(50-68(66)69)18-16-52-21-27-56(28-22-52)71(59-33-41-63(74-5)42-34-59)60-35-43-64(75-6)44-36-60/h15-46,49-50H,7-14,47-48H2,1-6H3/b17-15+,18-16+
InChIKeyAXQADTNHQHORJT-YTEMWHBBSA-N
XLogP19.21
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.35
LogP ≤ 519.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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
9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine
CID 102507465
9,9-dihexyl-N,N-bis[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 59470044
9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 101407197
9,9-didecyl-7-(N-phenylanilino)fluorene-2-carbaldehyde
CID 22723475
9,9-dibutyl-2,7-bis[(E)-2-(4-methylphenyl)ethenyl]fluorene
CID 122221081
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
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
2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
CID 134849382

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCC1(CCCCCC)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-[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?
The InChIKey is AXQADTNHQHORJT-YTEMWHBBSA-N. The full InChI is InChI=1S/C69H72N2O4/c1-7-9-11-13-47-69(48-14-12-10-8-2)67-49-53(17-15-51-19-25-55(26-20-51)70(57-29-37-61(72-3)38-30-57)58-31-39-62(73-4)40-32-58)23-45-65(67)66-46-24-54(50-68(66)69)18-16-52-21-27-56(28-22-52)71(59-33-41-63(74-5)42-34-59)60-35-43-64(75-6)44-36-60/h15-46,49-50H,7-14,47-48H2,1-6H3/b17-15+,18-16+.
What are the key properties of 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?
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 has a molecular weight of 993.35 g/mol, XLogP of 19.21, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102326993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).