4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile

C84H66N4 — CID 59245949

IUPAC4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile
SMILES[C-]#[N+]c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(C#N)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)cc4)ccc2-3)cc1
InChIInChI=1S/C84H66N4/c1-81(2)73-16-12-10-14-65(73)69-42-36-61(48-77(69)81)87(59-32-26-57(52-85)27-33-59)63-38-44-71-67-40-28-55(46-75(67)83(5,6)79(71)50-63)24-22-53-18-20-54(21-19-53)23-25-56-29-41-68-72-45-39-64(51-80(72)84(7,8)76(68)47-56)88(60-34-30-58(86-9)31-35-60)62-37-43-70-66-15-11-13-17-74(66)82(3,4)78(70)49-62/h10-51H,1-8H3/b24-22+,25-23+
InChIKeyPTKKKKCPFSJEDP-BQASJOSNSA-N
MW1131.48 g/mol
LogP22.61
Rot. Bonds10

About 4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile

4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile (PubChem CID 59245949) has the molecular formula C84H66N4 and a molecular weight of 1131.48 g/mol. Its IUPAC name is 4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile
PubChem CID59245949
Molecular FormulaC84H66N4
Molecular Weight1131.48 g/mol
Exact Mass1130.53
IUPAC Name4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile
SMILES[C-]#[N+]c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(C#N)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)cc4)ccc2-3)cc1
InChIInChI=1S/C84H66N4/c1-81(2)73-16-12-10-14-65(73)69-42-36-61(48-77(69)81)87(59-32-26-57(52-85)27-33-59)63-38-44-71-67-40-28-55(46-75(67)83(5,6)79(71)50-63)24-22-53-18-20-54(21-19-53)23-25-56-29-41-68-72-45-39-64(51-80(72)84(7,8)76(68)47-56)88(60-34-30-58(86-9)31-35-60)62-37-43-70-66-15-11-13-17-74(66)82(3,4)78(70)49-62/h10-51H,1-8H3/b24-22+,25-23+
InChIKeyPTKKKKCPFSJEDP-BQASJOSNSA-N
XLogP22.61
TPSA34.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.48
LogP ≤ 522.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile with MolForge

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Related Compounds

2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile
CID 89087768
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
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
4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-pyridin-2-ylamino]benzonitrile
CID 89087921
4-[2-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)-9-(4-isocyanophenyl)fluoren-9-yl]benzonitrile
CID 123615196
4-(N-[2-(N-(4-isocyanophenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]-4-phenylanilino)benzonitrile
CID 140926370
4-(N-[5-(N-(4-isocyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile
CID 140722420
4-[[6-[(E)-2-[6-(4-isocyano-N-naphthalen-2-ylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-yl]-naphthalen-2-ylamino]benzonitrile
CID 140926325
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832
N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 91399665
7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 59246429

Frequently Asked Questions

What is the IUPAC name of 4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile?
The IUPAC name of 4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile (CID 59245949) is 4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile is [C-]#[N+]c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(C#N)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)cc4)ccc2-3)cc1.
What is the InChIKey of 4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile?
The InChIKey is PTKKKKCPFSJEDP-BQASJOSNSA-N. The full InChI is InChI=1S/C84H66N4/c1-81(2)73-16-12-10-14-65(73)69-42-36-61(48-77(69)81)87(59-32-26-57(52-85)27-33-59)63-38-44-71-67-40-28-55(46-75(67)83(5,6)79(71)50-63)24-22-53-18-20-54(21-19-53)23-25-56-29-41-68-72-45-39-64(51-80(72)84(7,8)76(68)47-56)88(60-34-30-58(86-9)31-35-60)62-37-43-70-66-15-11-13-17-74(66)82(3,4)78(70)49-62/h10-51H,1-8H3/b24-22+,25-23+.
What are the key properties of 4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile?
4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile has a molecular weight of 1131.48 g/mol, XLogP of 22.61, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile is sourced from PubChem (CID 59245949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).