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

C79H72N2 — CID 101497253

IUPAC7-[(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
SMILESCCC1(CC)c2cc(/C=C/c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C79H72N2/c1-7-77(8-2)71-49-55(33-35-57-39-45-67-69-47-41-63(53-75(69)78(9-3,10-4)73(67)51-57)80(59-25-17-13-18-26-59)60-27-19-14-20-28-60)37-43-65(71)66-44-38-56(50-72(66)77)34-36-58-40-46-68-70-48-42-64(54-76(70)79(11-5,12-6)74(68)52-58)81(61-29-21-15-22-30-61)62-31-23-16-24-32-62/h13-54H,7-12H2,1-6H3/b35-33+,36-34+
InChIKeyZOPSDHIHDMMGOO-LBYUQGKWSA-N
MW1049.46 g/mol
LogP22.23
Rot. Bonds16

About 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

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 (PubChem CID 101497253) has the molecular formula C79H72N2 and a molecular weight of 1049.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[(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
PubChem CID101497253
Molecular FormulaC79H72N2
Molecular Weight1049.46 g/mol
Exact Mass1048.57
IUPAC Name7-[(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
SMILESCCC1(CC)c2cc(/C=C/c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C79H72N2/c1-7-77(8-2)71-49-55(33-35-57-39-45-67-69-47-41-63(53-75(69)78(9-3,10-4)73(67)51-57)80(59-25-17-13-18-26-59)60-27-19-14-20-28-60)37-43-65(71)66-44-38-56(50-72(66)77)34-36-58-40-46-68-70-48-42-64(54-76(70)79(11-5,12-6)74(68)52-58)81(61-29-21-15-22-30-61)62-31-23-16-24-32-62/h13-54H,7-12H2,1-6H3/b35-33+,36-34+
InChIKeyZOPSDHIHDMMGOO-LBYUQGKWSA-N
XLogP22.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.46
LogP ≤ 522.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 58444639
7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91004917
7-[(E)-2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 89074843
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine
CID 89075006
9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067087
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine
CID 91243704
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
7-[2-[4-(2,6-dimethyl-3-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91384887
7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 89067107
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-diethyl-N,N-diphenyl-7-[(E)-2-[4-(4-tritylphenyl)naphthalen-1-yl]ethenyl]fluoren-2-amine
CID 89074836

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1(CC)c2cc(/C=C/c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc21.
What is the InChIKey of 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?
The InChIKey is ZOPSDHIHDMMGOO-LBYUQGKWSA-N. The full InChI is InChI=1S/C79H72N2/c1-7-77(8-2)71-49-55(33-35-57-39-45-67-69-47-41-63(53-75(69)78(9-3,10-4)73(67)51-57)80(59-25-17-13-18-26-59)60-27-19-14-20-28-60)37-43-65(71)66-44-38-56(50-72(66)77)34-36-58-40-46-68-70-48-42-64(54-76(70)79(11-5,12-6)74(68)52-58)81(61-29-21-15-22-30-61)62-31-23-16-24-32-62/h13-54H,7-12H2,1-6H3/b35-33+,36-34+.
What are the key properties of 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?
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 has a molecular weight of 1049.46 g/mol, XLogP of 22.23, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 101497253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).