9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine

C88H73FN2O — CID 154999939

IUPAC9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine
SMILESC=Cc1ccc(Oc2ccc(CCCCCCCCC3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(C=C)cc8)ccc6-7)cc5)cc43)cc2)cc1
InChIInChI=1S/C88H73FN2O/c1-5-60-27-40-71(41-28-60)91-85-26-18-16-24-79(85)80-56-64(37-54-86(80)91)66-36-52-77-76-51-35-65(57-82(76)87(3,4)83(77)58-66)63-33-42-69(43-34-63)90(70-44-38-68(89)39-45-70)72-46-53-78-75-23-15-17-25-81(75)88(84(78)59-72,67-21-13-11-14-22-67)55-19-10-8-7-9-12-20-62-31-49-74(50-32-62)92-73-47-29-61(6-2)30-48-73/h5-6,11,13-18,21-54,56-59H,1-2,7-10,12,19-20,55H2,3-4H3
InChIKeyKWRNTBYKNBALGC-UHFFFAOYSA-N
MW1193.56 g/mol
LogP24.40
Rot. Bonds20

About 9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine

9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine (PubChem CID 154999939) has the molecular formula C88H73FN2O and a molecular weight of 1193.56 g/mol. Its IUPAC name is 9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine.

Molecular Properties

Compound Name9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine
PubChem CID154999939
Molecular FormulaC88H73FN2O
Molecular Weight1193.56 g/mol
Exact Mass1192.57
IUPAC Name9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine
SMILESC=Cc1ccc(Oc2ccc(CCCCCCCCC3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(C=C)cc8)ccc6-7)cc5)cc43)cc2)cc1
InChIInChI=1S/C88H73FN2O/c1-5-60-27-40-71(41-28-60)91-85-26-18-16-24-79(85)80-56-64(37-54-86(80)91)66-36-52-77-76-51-35-65(57-82(76)87(3,4)83(77)58-66)63-33-42-69(43-34-63)90(70-44-38-68(89)39-45-70)72-46-53-78-75-23-15-17-25-81(75)88(84(78)59-72,67-21-13-11-14-22-67)55-19-10-8-7-9-12-20-62-31-49-74(50-32-62)92-73-47-29-61(6-2)30-48-73/h5-6,11,13-18,21-54,56-59H,1-2,7-10,12,19-20,55H2,3-4H3
InChIKeyKWRNTBYKNBALGC-UHFFFAOYSA-N
XLogP24.40
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.56
LogP ≤ 524.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine?
The IUPAC name of 9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine (CID 154999939) is 9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine.
What is the SMILES notation for 9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine?
The canonical SMILES for 9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine is C=Cc1ccc(Oc2ccc(CCCCCCCCC3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(C=C)cc8)ccc6-7)cc5)cc43)cc2)cc1.
What is the InChIKey of 9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine?
The InChIKey is KWRNTBYKNBALGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H73FN2O/c1-5-60-27-40-71(41-28-60)91-85-26-18-16-24-79(85)80-56-64(37-54-86(80)91)66-36-52-77-76-51-35-65(57-82(76)87(3,4)83(77)58-66)63-33-42-69(43-34-63)90(70-44-38-68(89)39-45-70)72-46-53-78-75-23-15-17-25-81(75)88(84(78)59-72,67-21-13-11-14-22-67)55-19-10-8-7-9-12-20-62-31-49-74(50-32-62)92-73-47-29-61(6-2)30-48-73/h5-6,11,13-18,21-54,56-59H,1-2,7-10,12,19-20,55H2,3-4H3.
What are the key properties of 9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine?
9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine has a molecular weight of 1193.56 g/mol, XLogP of 24.40, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[4-(4-ethenylphenoxy)phenyl]octyl]-N-[4-[7-[9-(4-ethenylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine is sourced from PubChem (CID 154999939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).