2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile

C252H180F12N16 — CID 160556570

IUPAC2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C#N)cc(-n3c4ccccc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2C#N)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C#N)cc(-n5c6ccccc6c6ccc(-c7cc(C)cc(C)c7)cc65)c4C#N)c3c2)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1cc(-n2c3cc(-c4cc(C)cc(C)c4)ccc3c3ccc(-c4cc(C)cc(C)c4)cc32)c(C#N)c(-n2c3cc(-c4cc(C)cc(C)c4)ccc3c3ccc(-c4cc(C)cc(C)c4)cc32)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c(C#N)c(-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1
InChIInChI=1S/2C71H53F3N4.2C55H37F3N4/c1-40-20-41(2)25-52(24-40)48-10-16-65-59(32-48)60-33-49(53-26-42(3)21-43(4)27-53)11-17-66(60)77(65)69-36-56(58-15-14-57(71(72,73)74)38-64(58)76-9)37-70(63(69)39-75)78-67-18-12-50(54-28-44(5)22-45(6)29-54)34-61(67)62-35-51(13-19-68(62)78)55-30-46(7)23-47(8)31-55;1-40-20-41(2)25-52(24-40)48-10-15-59-60-16-11-49(53-26-42(3)21-43(4)27-53)33-66(60)77(65(59)32-48)69-36-56(58-19-14-57(71(72,73)74)38-64(58)76-9)37-70(63(69)39-75)78-67-34-50(54-28-44(5)22-45(6)29-54)12-17-61(67)62-18-13-51(35-68(62)78)55-30-46(7)23-47(8)31-55;1-32-19-33(2)22-38(21-32)36-13-17-51-46(26-36)44-9-5-7-11-49(44)61(51)53-28-40(43-16-15-42(55(56,57)58)25-41(43)30-59)29-54(48(53)31-60)62-50-12-8-6-10-45(50)47-27-37(14-18-52(47)62)39-23-34(3)20-35(4)24-39;1-32-19-33(2)22-38(21-32)36-13-16-46-44-9-5-7-11-49(44)61(51(46)26-36)53-28-40(43-18-15-42(55(56,57)58)25-41(43)30-59)29-54(48(53)31-60)62-50-12-8-6-10-45(50)47-17-14-37(27-52(47)62)39-23-34(3)20-35(4)24-39/h2*10-38H,1-8H3;2*5-29H,1-4H3
InChIKeyQYTJPGIAWXLMBS-UHFFFAOYSA-N
MW3660.30 g/mol
LogP70.00
Rot. Bonds24

About 2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile

2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 160556570) has the molecular formula C252H180F12N16 and a molecular weight of 3660.30 g/mol. Its IUPAC name is 2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
PubChem CID160556570
Molecular FormulaC252H180F12N16
Molecular Weight3660.30 g/mol
Exact Mass3657.44
IUPAC Name2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C#N)cc(-n3c4ccccc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2C#N)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C#N)cc(-n5c6ccccc6c6ccc(-c7cc(C)cc(C)c7)cc65)c4C#N)c3c2)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1cc(-n2c3cc(-c4cc(C)cc(C)c4)ccc3c3ccc(-c4cc(C)cc(C)c4)cc32)c(C#N)c(-n2c3cc(-c4cc(C)cc(C)c4)ccc3c3ccc(-c4cc(C)cc(C)c4)cc32)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c(C#N)c(-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1
InChIInChI=1S/2C71H53F3N4.2C55H37F3N4/c1-40-20-41(2)25-52(24-40)48-10-16-65-59(32-48)60-33-49(53-26-42(3)21-43(4)27-53)11-17-66(60)77(65)69-36-56(58-15-14-57(71(72,73)74)38-64(58)76-9)37-70(63(69)39-75)78-67-18-12-50(54-28-44(5)22-45(6)29-54)34-61(67)62-35-51(13-19-68(62)78)55-30-46(7)23-47(8)31-55;1-40-20-41(2)25-52(24-40)48-10-15-59-60-16-11-49(53-26-42(3)21-43(4)27-53)33-66(60)77(65(59)32-48)69-36-56(58-19-14-57(71(72,73)74)38-64(58)76-9)37-70(63(69)39-75)78-67-34-50(54-28-44(5)22-45(6)29-54)12-17-61(67)62-18-13-51(35-68(62)78)55-30-46(7)23-47(8)31-55;1-32-19-33(2)22-38(21-32)36-13-17-51-46(26-36)44-9-5-7-11-49(44)61(51)53-28-40(43-16-15-42(55(56,57)58)25-41(43)30-59)29-54(48(53)31-60)62-50-12-8-6-10-45(50)47-27-37(14-18-52(47)62)39-23-34(3)20-35(4)24-39;1-32-19-33(2)22-38(21-32)36-13-16-46-44-9-5-7-11-49(44)61(51(46)26-36)53-28-40(43-18-15-42(55(56,57)58)25-41(43)30-59)29-54(48(53)31-60)62-50-12-8-6-10-45(50)47-17-14-37(27-52(47)62)39-23-34(3)20-35(4)24-39/h2*10-38H,1-8H3;2*5-29H,1-4H3
InChIKeyQYTJPGIAWXLMBS-UHFFFAOYSA-N
XLogP70.00
TPSA190.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms280
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003660.30
LogP ≤ 570.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile (CID 160556570) is 2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile is Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C#N)cc(-n3c4ccccc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2C#N)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C#N)cc(-n5c6ccccc6c6ccc(-c7cc(C)cc(C)c7)cc65)c4C#N)c3c2)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1cc(-n2c3cc(-c4cc(C)cc(C)c4)ccc3c3ccc(-c4cc(C)cc(C)c4)cc32)c(C#N)c(-n2c3cc(-c4cc(C)cc(C)c4)ccc3c3ccc(-c4cc(C)cc(C)c4)cc32)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c(C#N)c(-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1.
What is the InChIKey of 2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile?
The InChIKey is QYTJPGIAWXLMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C71H53F3N4.2C55H37F3N4/c1-40-20-41(2)25-52(24-40)48-10-16-65-59(32-48)60-33-49(53-26-42(3)21-43(4)27-53)11-17-66(60)77(65)69-36-56(58-15-14-57(71(72,73)74)38-64(58)76-9)37-70(63(69)39-75)78-67-18-12-50(54-28-44(5)22-45(6)29-54)34-61(67)62-35-51(13-19-68(62)78)55-30-46(7)23-47(8)31-55;1-40-20-41(2)25-52(24-40)48-10-15-59-60-16-11-49(53-26-42(3)21-43(4)27-53)33-66(60)77(65(59)32-48)69-36-56(58-19-14-57(71(72,73)74)38-64(58)76-9)37-70(63(69)39-75)78-67-34-50(54-28-44(5)22-45(6)29-54)12-17-61(67)62-18-13-51(35-68(62)78)55-30-46(7)23-47(8)31-55;1-32-19-33(2)22-38(21-32)36-13-17-51-46(26-36)44-9-5-7-11-49(44)61(51)53-28-40(43-16-15-42(55(56,57)58)25-41(43)30-59)29-54(48(53)31-60)62-50-12-8-6-10-45(50)47-27-37(14-18-52(47)62)39-23-34(3)20-35(4)24-39;1-32-19-33(2)22-38(21-32)36-13-16-46-44-9-5-7-11-49(44)61(51(46)26-36)53-28-40(43-18-15-42(55(56,57)58)25-41(43)30-59)29-54(48(53)31-60)62-50-12-8-6-10-45(50)47-17-14-37(27-52(47)62)39-23-34(3)20-35(4)24-39/h2*10-38H,1-8H3;2*5-29H,1-4H3.
What are the key properties of 2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile?
2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile has a molecular weight of 3660.30 g/mol, XLogP of 70.00, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 160556570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).