2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile

C89H56N6 — CID 135264715

IUPAC2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cc(C#N)cc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)c7)ccc65)cc4C#N)cc(-n4c5ccccc5c5ccccc54)c3)ccc21
InChIInChI=1S/C89H56N6/c1-89(2)79-24-10-3-17-69(79)76-50-59(33-40-80(76)89)61-45-62(48-67(47-61)95-83-27-13-6-20-72(83)73-21-7-14-28-84(73)95)68-39-38-65(49-63(68)54-91)93-85-29-15-8-22-74(85)77-51-57(34-41-87(77)93)58-35-42-88-78(52-58)75-23-9-16-30-86(75)94(88)66-44-55(53-90)43-60(46-66)56-31-36-64(37-32-56)92-81-25-11-4-18-70(81)71-19-5-12-26-82(71)92/h3-52H,1-2H3
InChIKeyLLGVSSOSHCWJEM-UHFFFAOYSA-N
MW1209.47 g/mol
LogP22.79
Rot. Bonds8

About 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile

2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile (PubChem CID 135264715) has the molecular formula C89H56N6 and a molecular weight of 1209.47 g/mol. Its IUPAC name is 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
PubChem CID135264715
Molecular FormulaC89H56N6
Molecular Weight1209.47 g/mol
Exact Mass1208.46
IUPAC Name2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cc(C#N)cc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)c7)ccc65)cc4C#N)cc(-n4c5ccccc5c5ccccc54)c3)ccc21
InChIInChI=1S/C89H56N6/c1-89(2)79-24-10-3-17-69(79)76-50-59(33-40-80(76)89)61-45-62(48-67(47-61)95-83-27-13-6-20-72(83)73-21-7-14-28-84(73)95)68-39-38-65(49-63(68)54-91)93-85-29-15-8-22-74(85)77-51-57(34-41-87(77)93)58-35-42-88-78(52-58)75-23-9-16-30-86(75)94(88)66-44-55(53-90)43-60(46-66)56-31-36-64(37-32-56)92-81-25-11-4-18-70(81)71-19-5-12-26-82(71)92/h3-52H,1-2H3
InChIKeyLLGVSSOSHCWJEM-UHFFFAOYSA-N
XLogP22.79
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001209.47
LogP ≤ 522.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 118449201
4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 118449308
3-carbazol-9-yl-5-[3-cyano-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 168783318
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 146226406
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
5-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)benzonitrile
CID 140922574
3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 129290978
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
9-[4-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155080959
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693

Frequently Asked Questions

What is the IUPAC name of 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile?
The IUPAC name of 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile (CID 135264715) is 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile is CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cc(C#N)cc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)c7)ccc65)cc4C#N)cc(-n4c5ccccc5c5ccccc54)c3)ccc21.
What is the InChIKey of 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile?
The InChIKey is LLGVSSOSHCWJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H56N6/c1-89(2)79-24-10-3-17-69(79)76-50-59(33-40-80(76)89)61-45-62(48-67(47-61)95-83-27-13-6-20-72(83)73-21-7-14-28-84(73)95)68-39-38-65(49-63(68)54-91)93-85-29-15-8-22-74(85)77-51-57(34-41-87(77)93)58-35-42-88-78(52-58)75-23-9-16-30-86(75)94(88)66-44-55(53-90)43-60(46-66)56-31-36-64(37-32-56)92-81-25-11-4-18-70(81)71-19-5-12-26-82(71)92/h3-52H,1-2H3.
What are the key properties of 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile?
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile has a molecular weight of 1209.47 g/mol, XLogP of 22.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile is sourced from PubChem (CID 135264715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).