N-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine

C75H62F2N2O2 — CID 59246157

IUPACN-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
SMILESCOc1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(F)cc8)c8ccc(OC)cc8)ccc6-7)ccc4-5)ccc2-3)cc1
InChIInChI=1S/C75H62F2N2O2/c1-73(2)67-41-47(9-11-49-15-37-63-65-39-29-57(45-71(65)74(3,4)69(63)43-49)78(53-21-17-51(76)18-22-53)55-25-31-59(80-7)32-26-55)13-35-61(67)62-36-14-48(42-68(62)73)10-12-50-16-38-64-66-40-30-58(46-72(66)75(5,6)70(64)44-50)79(54-23-19-52(77)20-24-54)56-27-33-60(81-8)34-28-56/h9-46H,1-8H3/b11-9+,12-10+
InChIKeyRUMRYHIVEYQYPI-WGDLNXRISA-N
MW1061.33 g/mol
LogP20.18
Rot. Bonds12

About N-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine

N-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 59246157) has the molecular formula C75H62F2N2O2 and a molecular weight of 1061.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID59246157
Molecular FormulaC75H62F2N2O2
Molecular Weight1061.33 g/mol
Exact Mass1060.48
IUPAC NameN-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
SMILESCOc1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(F)cc8)c8ccc(OC)cc8)ccc6-7)ccc4-5)ccc2-3)cc1
InChIInChI=1S/C75H62F2N2O2/c1-73(2)67-41-47(9-11-49-15-37-63-65-39-29-57(45-71(65)74(3,4)69(63)43-49)78(53-21-17-51(76)18-22-53)55-25-31-59(80-7)32-26-55)13-35-61(67)62-36-14-48(42-68(62)73)10-12-50-16-38-64-66-40-30-58(46-72(66)75(5,6)70(64)44-50)79(54-23-19-52(77)20-24-54)56-27-33-60(81-8)34-28-56/h9-46H,1-8H3/b11-9+,12-10+
InChIKeyRUMRYHIVEYQYPI-WGDLNXRISA-N
XLogP20.18
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.33
LogP ≤ 520.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine (CID 59246157) is N-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine is COc1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(F)cc8)c8ccc(OC)cc8)ccc6-7)ccc4-5)ccc2-3)cc1.
What is the InChIKey of N-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is RUMRYHIVEYQYPI-WGDLNXRISA-N. The full InChI is InChI=1S/C75H62F2N2O2/c1-73(2)67-41-47(9-11-49-15-37-63-65-39-29-57(45-71(65)74(3,4)69(63)43-49)78(53-21-17-51(76)18-22-53)55-25-31-59(80-7)32-26-55)13-35-61(67)62-36-14-48(42-68(62)73)10-12-50-16-38-64-66-40-30-58(46-72(66)75(5,6)70(64)44-50)79(54-23-19-52(77)20-24-54)56-27-33-60(81-8)34-28-56/h9-46H,1-8H3/b11-9+,12-10+.
What are the key properties of N-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine?
N-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 1061.33 g/mol, XLogP of 20.18, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 59246157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).