3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile

C108H74F6N6 — CID 162571719

IUPAC3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccc(Cc5cc(C)cc(-c6ccc7c8ccccc8n(-c8cc(C#N)cc(-n9c%10ccccc%10c%10ccc(-c%11cc(C)cc(C)c%11)cc%109)c8-c8cccc(C(F)(F)F)c8)c7c6)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C108H74F6N6/c1-62-36-63(2)41-79(40-62)73-29-34-97-91(56-73)87-22-10-13-25-95(87)117(97)101-50-71(60-115)51-102(105(101)77-16-14-18-83(54-77)107(109,110)111)118-96-33-26-69(49-90(96)92-57-74(30-35-98(92)118)80-42-64(3)37-65(4)43-80)47-70-39-68(7)46-82(48-70)76-28-32-89-86-21-9-12-24-94(86)120(100(89)59-76)104-53-72(61-116)52-103(106(104)78-17-15-19-84(55-78)108(112,113)114)119-93-23-11-8-20-85(93)88-31-27-75(58-99(88)119)81-44-66(5)38-67(6)45-81/h8-46,48-59H,47H2,1-7H3
InChIKeyDWTIODDQDZTRSW-UHFFFAOYSA-N
MW1569.81 g/mol
LogP29.61
Rot. Bonds12

About 3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile

3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 162571719) has the molecular formula C108H74F6N6 and a molecular weight of 1569.81 g/mol. Its IUPAC name is 3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
PubChem CID162571719
Molecular FormulaC108H74F6N6
Molecular Weight1569.81 g/mol
Exact Mass1568.59
IUPAC Name3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccc(Cc5cc(C)cc(-c6ccc7c8ccccc8n(-c8cc(C#N)cc(-n9c%10ccccc%10c%10ccc(-c%11cc(C)cc(C)c%11)cc%109)c8-c8cccc(C(F)(F)F)c8)c7c6)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C108H74F6N6/c1-62-36-63(2)41-79(40-62)73-29-34-97-91(56-73)87-22-10-13-25-95(87)117(97)101-50-71(60-115)51-102(105(101)77-16-14-18-83(54-77)107(109,110)111)118-96-33-26-69(49-90(96)92-57-74(30-35-98(92)118)80-42-64(3)37-65(4)43-80)47-70-39-68(7)46-82(48-70)76-28-32-89-86-21-9-12-24-94(86)120(100(89)59-76)104-53-72(61-116)52-103(106(104)78-17-15-19-84(55-78)108(112,113)114)119-93-23-11-8-20-85(93)88-31-27-75(58-99(88)119)81-44-66(5)38-67(6)45-81/h8-46,48-59H,47H2,1-7H3
InChIKeyDWTIODDQDZTRSW-UHFFFAOYSA-N
XLogP29.61
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001569.81
LogP ≤ 529.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile with MolForge

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Related Compounds

4-(3-cyanophenyl)-3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 162083816
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 134300530
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 134287579
3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296253
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[2-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134300624
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 134287704
3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 137386643
3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 154040956
3-[3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 161042465
3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543848
3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295696
3-[9-[2-(3-cyanophenyl)-3-[2-(3-cyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile
CID 142465716

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile (CID 162571719) is 3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile is Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccc(Cc5cc(C)cc(-c6ccc7c8ccccc8n(-c8cc(C#N)cc(-n9c%10ccccc%10c%10ccc(-c%11cc(C)cc(C)c%11)cc%109)c8-c8cccc(C(F)(F)F)c8)c7c6)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is DWTIODDQDZTRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H74F6N6/c1-62-36-63(2)41-79(40-62)73-29-34-97-91(56-73)87-22-10-13-25-95(87)117(97)101-50-71(60-115)51-102(105(101)77-16-14-18-83(54-77)107(109,110)111)118-96-33-26-69(49-90(96)92-57-74(30-35-98(92)118)80-42-64(3)37-65(4)43-80)47-70-39-68(7)46-82(48-70)76-28-32-89-86-21-9-12-24-94(86)120(100(89)59-76)104-53-72(61-116)52-103(106(104)78-17-15-19-84(55-78)108(112,113)114)119-93-23-11-8-20-85(93)88-31-27-75(58-99(88)119)81-44-66(5)38-67(6)45-81/h8-46,48-59H,47H2,1-7H3.
What are the key properties of 3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1569.81 g/mol, XLogP of 29.61, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 162571719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).