2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile

C62H36F3N5 — CID 137386767

IUPAC2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C62H36F3N5/c63-62(64,65)49-26-12-7-21-41(49)38-35-56(69-50-27-13-8-22-42(50)44-31-33-54-58(60(44)69)46-24-10-15-29-52(46)67(54)39-17-3-1-4-18-39)48(37-66)57(36-38)70-51-28-14-9-23-43(51)45-32-34-55-59(61(45)70)47-25-11-16-30-53(47)68(55)40-19-5-2-6-20-40/h1-36H
InChIKeyGBZQSMLVHLTSKH-UHFFFAOYSA-N
MW908.00 g/mol
LogP16.63
Rot. Bonds5

About 2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile

2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386767) has the molecular formula C62H36F3N5 and a molecular weight of 908.00 g/mol. Its IUPAC name is 2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386767
Molecular FormulaC62H36F3N5
Molecular Weight908.00 g/mol
Exact Mass907.29
IUPAC Name2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C62H36F3N5/c63-62(64,65)49-26-12-7-21-41(49)38-35-56(69-50-27-13-8-22-42(50)44-31-33-54-58(60(44)69)46-24-10-15-29-52(46)67(54)39-17-3-1-4-18-39)48(37-66)57(36-38)70-51-28-14-9-23-43(51)45-32-34-55-59(61(45)70)47-25-11-16-30-53(47)68(55)40-19-5-2-6-20-40/h1-36H
InChIKeyGBZQSMLVHLTSKH-UHFFFAOYSA-N
XLogP16.63
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.00
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 162166925
4-(2-cyanophenyl)-2-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-9-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170051061
2,6-bis(3-tert-butylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386438
2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386766
2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137368903
2-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-9-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-4-(3-phenylphenyl)benzonitrile
CID 170051066
2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 139339667
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483
4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170050981
2,4,5-tri(carbazol-9-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166855757
2,6-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386832
12-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 139552860

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386767) is 2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.
What is the InChIKey of 2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is GBZQSMLVHLTSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36F3N5/c63-62(64,65)49-26-12-7-21-41(49)38-35-56(69-50-27-13-8-22-42(50)44-31-33-54-58(60(44)69)46-24-10-15-29-52(46)67(54)39-17-3-1-4-18-39)48(37-66)57(36-38)70-51-28-14-9-23-43(51)45-32-34-55-59(61(45)70)47-25-11-16-30-53(47)68(55)40-19-5-2-6-20-40/h1-36H.
What are the key properties of 2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 908.00 g/mol, XLogP of 16.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).