9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole

C71H29F30N3 — CID 153423098

IUPAC9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
SMILES[C-]#[N+]c1cc(-n2c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)c(-n2c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)cc1-c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C71H29F30N3/c1-102-55-30-61(104-58-22-33(37-16-44(67(87,88)89)26-45(17-37)68(90,91)92)4-9-51(58)52-10-5-34(23-59(52)104)38-18-46(69(93,94)95)27-47(19-38)70(96,97)98)60(29-53(55)48-11-6-39(62(72,73)74)28-54(48)71(99,100)101)103-56-20-31(35-12-40(63(75,76)77)24-41(13-35)64(78,79)80)2-7-49(56)50-8-3-32(21-57(50)103)36-14-42(65(81,82)83)25-43(15-36)66(84,85)86/h2-30H
InChIKeyDNAWJNCWTHCIKM-UHFFFAOYSA-N
MW1493.97 g/mol
LogP26.95
Rot. Bonds7

About 9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole

9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole (PubChem CID 153423098) has the molecular formula C71H29F30N3 and a molecular weight of 1493.97 g/mol. Its IUPAC name is 9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
PubChem CID153423098
Molecular FormulaC71H29F30N3
Molecular Weight1493.97 g/mol
Exact Mass1493.19
IUPAC Name9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
SMILES[C-]#[N+]c1cc(-n2c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)c(-n2c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)cc1-c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C71H29F30N3/c1-102-55-30-61(104-58-22-33(37-16-44(67(87,88)89)26-45(17-37)68(90,91)92)4-9-51(58)52-10-5-34(23-59(52)104)38-18-46(69(93,94)95)27-47(19-38)70(96,97)98)60(29-53(55)48-11-6-39(62(72,73)74)28-54(48)71(99,100)101)103-56-20-31(35-12-40(63(75,76)77)24-41(13-35)64(78,79)80)2-7-49(56)50-8-3-32(21-57(50)103)36-14-42(65(81,82)83)25-43(15-36)66(84,85)86/h2-30H
InChIKeyDNAWJNCWTHCIKM-UHFFFAOYSA-N
XLogP26.95
TPSA14.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001493.97
LogP ≤ 526.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole with MolForge

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Related Compounds

2-[4,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile
CID 153302718
9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole
CID 159152968
3-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-isocyano-4-[2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-5-methylbenzonitrile
CID 159354839
2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile
CID 153302736
5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473751
4-[5-[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-2-isocyanophenyl]-3-(trifluoromethyl)benzonitrile
CID 153302987
2-[2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-isocyanophenyl]-5-(trifluoromethyl)benzonitrile
CID 153302748
2-[4-[2,7-bis(3-isocyanophenyl)carbazol-9-yl]-5-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile
CID 153303197
4-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-3-(trifluoromethyl)benzonitrile
CID 153302782
2-(3,5-dimethylphenyl)-9-[2-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]carbazole
CID 160642046
2-[4,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile
CID 153302811
9-[4-isocyano-2-[3-(4-methylphenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-methylphenyl)carbazole
CID 162096729

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole (CID 153423098) is 9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole is [C-]#[N+]c1cc(-n2c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)c(-n2c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)cc1-c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole?
The InChIKey is DNAWJNCWTHCIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H29F30N3/c1-102-55-30-61(104-58-22-33(37-16-44(67(87,88)89)26-45(17-37)68(90,91)92)4-9-51(58)52-10-5-34(23-59(52)104)38-18-46(69(93,94)95)27-47(19-38)70(96,97)98)60(29-53(55)48-11-6-39(62(72,73)74)28-54(48)71(99,100)101)103-56-20-31(35-12-40(63(75,76)77)24-41(13-35)64(78,79)80)2-7-49(56)50-8-3-32(21-57(50)103)36-14-42(65(81,82)83)25-43(15-36)66(84,85)86/h2-30H.
What are the key properties of 9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole?
9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole has a molecular weight of 1493.97 g/mol, XLogP of 26.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-isocyanophenyl]-2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 153423098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).