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

C73H56N6 — CID 89087921

IUPAC4-[[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
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(C#N)cc5)c5ccccn5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(C#N)cc5)c5ccccn5)ccc3-4)cc21
InChIInChI=1S/C73H56N6/c1-71(2)63-39-47(13-15-49-23-33-59-61-35-29-55(43-67(61)72(3,4)65(59)41-49)78(69-11-7-9-37-76-69)53-25-17-51(45-74)18-26-53)21-31-57(63)58-32-22-48(40-64(58)71)14-16-50-24-34-60-62-36-30-56(44-68(62)73(5,6)66(60)42-50)79(70-12-8-10-38-77-70)54-27-19-52(46-75)20-28-54/h7-44H,1-6H3/b15-13+,16-14+
InChIKeyDDGJQTORPCDFRK-WXUKJITCSA-N
MW1017.29 g/mol
LogP18.42
Rot. Bonds10

About 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

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 (PubChem CID 89087921) has the molecular formula C73H56N6 and a molecular weight of 1017.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID89087921
Molecular FormulaC73H56N6
Molecular Weight1017.29 g/mol
Exact Mass1016.46
IUPAC Name4-[[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
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(C#N)cc5)c5ccccn5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(C#N)cc5)c5ccccn5)ccc3-4)cc21
InChIInChI=1S/C73H56N6/c1-71(2)63-39-47(13-15-49-23-33-59-61-35-29-55(43-67(61)72(3,4)65(59)41-49)78(69-11-7-9-37-76-69)53-25-17-51(45-74)18-26-53)21-31-57(63)58-32-22-48(40-64(58)71)14-16-50-24-34-60-62-36-30-56(44-68(62)73(5,6)66(60)42-50)79(70-12-8-10-38-77-70)54-27-19-52(46-75)20-28-54/h7-44H,1-6H3/b15-13+,16-14+
InChIKeyDDGJQTORPCDFRK-WXUKJITCSA-N
XLogP18.42
TPSA79.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.29
LogP ≤ 518.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine
CID 59246471
4-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]phenyl]ethenyl]-N-pyridin-2-ylanilino]benzonitrile
CID 123561189
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
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
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-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(N-phenanthren-9-yl-4-phenylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-phenyl-N-pyridin-2-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-phenylphenyl)pyridin-2-amine;N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-phenyl-N-pyridin-3-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-phenylphenyl)pyridin-3-amine;N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-phenyl-N-pyridin-4-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-phenylphenyl)pyridin-4-amine
CID 159936596
9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine
CID 58444636
7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
CID 89074664
7-[2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90878487
N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine
CID 58389704
7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine
CID 59246550

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(C#N)cc5)c5ccccn5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(C#N)cc5)c5ccccn5)ccc3-4)cc21.
What is the InChIKey of 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?
The InChIKey is DDGJQTORPCDFRK-WXUKJITCSA-N. The full InChI is InChI=1S/C73H56N6/c1-71(2)63-39-47(13-15-49-23-33-59-61-35-29-55(43-67(61)72(3,4)65(59)41-49)78(69-11-7-9-37-76-69)53-25-17-51(45-74)18-26-53)21-31-57(63)58-32-22-48(40-64(58)71)14-16-50-24-34-60-62-36-30-56(44-68(62)73(5,6)66(60)42-50)79(70-12-8-10-38-77-70)54-27-19-52(46-75)20-28-54/h7-44H,1-6H3/b15-13+,16-14+.
What are the key properties of 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?
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 has a molecular weight of 1017.29 g/mol, XLogP of 18.42, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89087921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).