9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine

C64H67N — CID 101407197

IUPAC9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(CCCC)(CCCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)cc3)cc21
InChIInChI=1S/C64H67N/c1-5-9-41-63(42-10-6-2)59-26-20-19-25-55(59)56-38-35-50(45-60(56)63)33-31-48-27-29-49(30-28-48)32-34-51-36-39-57-58-40-37-54(65(52-21-15-13-16-22-52)53-23-17-14-18-24-53)47-62(58)64(43-11-7-3,44-12-8-4)61(57)46-51/h13-40,45-47H,5-12,41-44H2,1-4H3/b33-31+,34-32+
InChIKeyYOIOCJUCNUKIAO-FMWAKIAMSA-N
MW850.25 g/mol
LogP18.79
Rot. Bonds19

About 9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine

9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine (PubChem CID 101407197) has the molecular formula C64H67N and a molecular weight of 850.25 g/mol. Its IUPAC name is 9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
PubChem CID101407197
Molecular FormulaC64H67N
Molecular Weight850.25 g/mol
Exact Mass849.53
IUPAC Name9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(CCCC)(CCCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)cc3)cc21
InChIInChI=1S/C64H67N/c1-5-9-41-63(42-10-6-2)59-26-20-19-25-55(59)56-38-35-50(45-60(56)63)33-31-48-27-29-49(30-28-48)32-34-51-36-39-57-58-40-37-54(65(52-21-15-13-16-22-52)53-23-17-14-18-24-53)47-62(58)64(43-11-7-3,44-12-8-4)61(57)46-51/h13-40,45-47H,5-12,41-44H2,1-4H3/b33-31+,34-32+
InChIKeyYOIOCJUCNUKIAO-FMWAKIAMSA-N
XLogP18.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.25
LogP ≤ 518.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-dihexyl-N,N-bis[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 59470044
9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine
CID 102507465
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
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
9,9-didecyl-7-(N-phenylanilino)fluorene-2-carbaldehyde
CID 22723475
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
N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
9,9-dibutyl-2,7-bis[(E)-2-(4-methylphenyl)ethenyl]fluorene
CID 122221081
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
9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 58444639
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815

Frequently Asked Questions

What is the IUPAC name of 9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?
The IUPAC name of 9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine (CID 101407197) is 9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine is CCCCC1(CCCC)c2ccccc2-c2ccc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(CCCC)(CCCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)cc3)cc21.
What is the InChIKey of 9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?
The InChIKey is YOIOCJUCNUKIAO-FMWAKIAMSA-N. The full InChI is InChI=1S/C64H67N/c1-5-9-41-63(42-10-6-2)59-26-20-19-25-55(59)56-38-35-50(45-60(56)63)33-31-48-27-29-49(30-28-48)32-34-51-36-39-57-58-40-37-54(65(52-21-15-13-16-22-52)53-23-17-14-18-24-53)47-62(58)64(43-11-7-3,44-12-8-4)61(57)46-51/h13-40,45-47H,5-12,41-44H2,1-4H3/b33-31+,34-32+.
What are the key properties of 9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?
9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine has a molecular weight of 850.25 g/mol, XLogP of 18.79, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 101407197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).