5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile

C89H57FN8 — CID 118927697

IUPAC5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C#N)c(F)c(-c2cccc(-c3cc(-c4cccc(-c5cc(C#N)c(C#N)cc5-n5c6ccc(C)cc6c6cc(C)ccc65)c4)cc(-c4cccc(-c5cc(C#N)cc(C#N)c5-n5c6ccc(C)cc6c6cc(C)ccc65)c4)c3)c2)c1
InChIInChI=1S/C89H57FN8/c1-51-16-22-81-75(28-51)76-29-52(2)17-23-82(76)96(81)71-42-69(49-94)88(90)73(45-71)62-14-8-11-59(37-62)65-39-64(58-10-7-13-61(36-58)72-43-67(47-92)68(48-93)44-87(72)97-83-24-18-53(3)30-77(83)78-31-54(4)19-25-84(78)97)40-66(41-65)60-12-9-15-63(38-60)74-35-57(46-91)34-70(50-95)89(74)98-85-26-20-55(5)32-79(85)80-33-56(6)21-27-86(80)98/h7-45H,1-6H3
InChIKeyZFISZABHMHYVKK-UHFFFAOYSA-N
MW1257.49 g/mol
LogP22.33
Rot. Bonds9

About 5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile

5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile (PubChem CID 118927697) has the molecular formula C89H57FN8 and a molecular weight of 1257.49 g/mol. Its IUPAC name is 5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile
PubChem CID118927697
Molecular FormulaC89H57FN8
Molecular Weight1257.49 g/mol
Exact Mass1256.47
IUPAC Name5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C#N)c(F)c(-c2cccc(-c3cc(-c4cccc(-c5cc(C#N)c(C#N)cc5-n5c6ccc(C)cc6c6cc(C)ccc65)c4)cc(-c4cccc(-c5cc(C#N)cc(C#N)c5-n5c6ccc(C)cc6c6cc(C)ccc65)c4)c3)c2)c1
InChIInChI=1S/C89H57FN8/c1-51-16-22-81-75(28-51)76-29-52(2)17-23-82(76)96(81)71-42-69(49-94)88(90)73(45-71)62-14-8-11-59(37-62)65-39-64(58-10-7-13-61(36-58)72-43-67(47-92)68(48-93)44-87(72)97-83-24-18-53(3)30-77(83)78-31-54(4)19-25-84(78)97)40-66(41-65)60-12-9-15-63(38-60)74-35-57(46-91)34-70(50-95)89(74)98-85-26-20-55(5)32-79(85)80-33-56(6)21-27-86(80)98/h7-45H,1-6H3
InChIKeyZFISZABHMHYVKK-UHFFFAOYSA-N
XLogP22.33
TPSA133.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001257.49
LogP ≤ 522.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile (CID 118927697) is 5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C#N)c(F)c(-c2cccc(-c3cc(-c4cccc(-c5cc(C#N)c(C#N)cc5-n5c6ccc(C)cc6c6cc(C)ccc65)c4)cc(-c4cccc(-c5cc(C#N)cc(C#N)c5-n5c6ccc(C)cc6c6cc(C)ccc65)c4)c3)c2)c1.
What is the InChIKey of 5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The InChIKey is ZFISZABHMHYVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H57FN8/c1-51-16-22-81-75(28-51)76-29-52(2)17-23-82(76)96(81)71-42-69(49-94)88(90)73(45-71)62-14-8-11-59(37-62)65-39-64(58-10-7-13-61(36-58)72-43-67(47-92)68(48-93)44-87(72)97-83-24-18-53(3)30-77(83)78-31-54(4)19-25-84(78)97)40-66(41-65)60-12-9-15-63(38-60)74-35-57(46-91)34-70(50-95)89(74)98-85-26-20-55(5)32-79(85)80-33-56(6)21-27-86(80)98/h7-45H,1-6H3.
What are the key properties of 5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile has a molecular weight of 1257.49 g/mol, XLogP of 22.33, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[3-[3-cyano-5-(3,6-dimethylcarbazol-9-yl)-2-fluorophenyl]phenyl]-5-[3-[4,5-dicyano-2-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 118927697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).