4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole

C170H96F38N8Si2 — CID 161443679

IUPAC4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
SMILESC[Si](C)(C)c1ccc(-c2c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3c(-c3ccc([Si](C)(C)C)cc3)c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc23)cc1.Fc1ccc(-c2c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3c(-c3ccc(F)cc3)c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc23)cc1.[C-]#[N+]c1ccc(-c2c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3c(-c3ccc(C#N)cc3)c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc23)cc1
InChIInChI=1S/C60H44F12N2Si2.C56H26F12N4.C54H26F14N2/c1-75(2,3)41-17-7-33(8-18-41)55-43-21-15-40(74-53-25-13-37(59(67,68)69)29-47(53)48-30-38(60(70,71)72)14-26-54(48)74)32-50(43)56(34-9-19-42(20-10-34)76(4,5)6)44-22-16-39(31-49(44)55)73-51-23-11-35(57(61,62)63)27-45(51)46-28-36(58(64,65)66)12-24-52(46)73;1-70-36-12-6-31(7-13-36)52-40-17-15-37(71-47-18-8-32(53(57,58)59)22-41(47)42-23-33(54(60,61)62)9-19-48(42)71)26-45(40)51(30-4-2-29(28-69)3-5-30)39-16-14-38(27-46(39)52)72-49-20-10-34(55(63,64)65)24-43(49)44-25-35(56(66,67)68)11-21-50(44)72;55-33-9-1-27(2-10-33)49-37-15-13-36(70-47-19-7-31(53(63,64)65)23-41(47)42-24-32(54(66,67)68)8-20-48(42)70)26-44(37)50(28-3-11-34(56)12-4-28)38-16-14-35(25-43(38)49)69-45-17-5-29(51(57,58)59)21-39(45)40-22-30(52(60,61)62)6-18-46(40)69/h7-32H,1-6H3;2-27H;1-26H
InChIKeyVZPRLWVYNZOXNI-UHFFFAOYSA-N
MW3028.79 g/mol
LogP54.58
Rot. Bonds14

About 4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole

4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 161443679) has the molecular formula C170H96F38N8Si2 and a molecular weight of 3028.79 g/mol. Its IUPAC name is 4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
PubChem CID161443679
Molecular FormulaC170H96F38N8Si2
Molecular Weight3028.79 g/mol
Exact Mass3026.67
IUPAC Name4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
SMILESC[Si](C)(C)c1ccc(-c2c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3c(-c3ccc([Si](C)(C)C)cc3)c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc23)cc1.Fc1ccc(-c2c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3c(-c3ccc(F)cc3)c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc23)cc1.[C-]#[N+]c1ccc(-c2c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3c(-c3ccc(C#N)cc3)c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc23)cc1
InChIInChI=1S/C60H44F12N2Si2.C56H26F12N4.C54H26F14N2/c1-75(2,3)41-17-7-33(8-18-41)55-43-21-15-40(74-53-25-13-37(59(67,68)69)29-47(53)48-30-38(60(70,71)72)14-26-54(48)74)32-50(43)56(34-9-19-42(20-10-34)76(4,5)6)44-22-16-39(31-49(44)55)73-51-23-11-35(57(61,62)63)27-45(51)46-28-36(58(64,65)66)12-24-52(46)73;1-70-36-12-6-31(7-13-36)52-40-17-15-37(71-47-18-8-32(53(57,58)59)22-41(47)42-23-33(54(60,61)62)9-19-48(42)71)26-45(40)51(30-4-2-29(28-69)3-5-30)39-16-14-38(27-46(39)52)72-49-20-10-34(55(63,64)65)24-43(49)44-25-35(56(66,67)68)11-21-50(44)72;55-33-9-1-27(2-10-33)49-37-15-13-36(70-47-19-7-31(53(63,64)65)23-41(47)42-24-32(54(66,67)68)8-20-48(42)70)26-44(37)50(28-3-11-34(56)12-4-28)38-16-14-35(25-43(38)49)69-45-17-5-29(51(57,58)59)21-39(45)40-22-30(52(60,61)62)6-18-46(40)69/h7-32H,1-6H3;2-27H;1-26H
InChIKeyVZPRLWVYNZOXNI-UHFFFAOYSA-N
XLogP54.58
TPSA57.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms218
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003028.79
LogP ≤ 554.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole with MolForge

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Related Compounds

4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole
CID 159128300
4-[4-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-[4-(4-isocyanophenyl)phenyl]anthracen-9-yl]phenyl]benzonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-3,6-difluorocarbazole
CID 158320398
9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 159382182
9-[9,10-bis(4-tert-butylphenyl)-6-(3-cyano-6-isocyanocarbazol-9-yl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 158059116
4-[10-(4-cyanophenyl)-2,6-bis(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]benzonitrile
CID 89064691
[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
CID 59357292
9-[6-(3,6-dicyanocarbazol-9-yl)-10-[4-(1,1-difluoroethyl)phenyl]-9-[4-(trifluoromethyl)phenyl]anthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064680
[4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane
CID 59357230
[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
CID 59357156
9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-methylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis[4-(trifluoromethyl)phenyl]anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 158118033
9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-3,6-difluorocarbazole
CID 158367441
4-(N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-4-isocyanoanilino)benzonitrile
CID 88953993

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The IUPAC name of 4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole (CID 161443679) is 4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The canonical SMILES for 4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole is C[Si](C)(C)c1ccc(-c2c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3c(-c3ccc([Si](C)(C)C)cc3)c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc23)cc1.Fc1ccc(-c2c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3c(-c3ccc(F)cc3)c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc23)cc1.[C-]#[N+]c1ccc(-c2c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3c(-c3ccc(C#N)cc3)c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc23)cc1.
What is the InChIKey of 4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The InChIKey is VZPRLWVYNZOXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44F12N2Si2.C56H26F12N4.C54H26F14N2/c1-75(2,3)41-17-7-33(8-18-41)55-43-21-15-40(74-53-25-13-37(59(67,68)69)29-47(53)48-30-38(60(70,71)72)14-26-54(48)74)32-50(43)56(34-9-19-42(20-10-34)76(4,5)6)44-22-16-39(31-49(44)55)73-51-23-11-35(57(61,62)63)27-45(51)46-28-36(58(64,65)66)12-24-52(46)73;1-70-36-12-6-31(7-13-36)52-40-17-15-37(71-47-18-8-32(53(57,58)59)22-41(47)42-23-33(54(60,61)62)9-19-48(42)71)26-45(40)51(30-4-2-29(28-69)3-5-30)39-16-14-38(27-46(39)52)72-49-20-10-34(55(63,64)65)24-43(49)44-25-35(56(66,67)68)11-21-50(44)72;55-33-9-1-27(2-10-33)49-37-15-13-36(70-47-19-7-31(53(63,64)65)23-41(47)42-24-32(54(66,67)68)8-20-48(42)70)26-44(37)50(28-3-11-34(56)12-4-28)38-16-14-35(25-43(38)49)69-45-17-5-29(51(57,58)59)21-39(45)40-22-30(52(60,61)62)6-18-46(40)69/h7-32H,1-6H3;2-27H;1-26H.
What are the key properties of 4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 3028.79 g/mol, XLogP of 54.58, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-isocyanophenyl)anthracen-9-yl]benzonitrile;[4-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-fluorophenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 161443679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).