2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile

C79H43F6N5 — CID 121303132

IUPAC2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3c4ccccc4ccc32)c(-n2c3ccccc3c3c4ccccc4ccc32)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-n2c3ccccc3c3c4ccccc4ccc32)c1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C79H43F6N5/c80-78(81,82)50-41-49(42-51(43-50)79(83,84)85)69-76(89-63-31-15-11-27-58(63)72-54-23-7-3-19-47(54)35-39-67(72)89)74(87-61-29-13-9-25-56(61)70-52-21-5-1-17-45(52)33-37-65(70)87)60(44-86)75(88-62-30-14-10-26-57(62)71-53-22-6-2-18-46(53)34-38-66(71)88)77(69)90-64-32-16-12-28-59(64)73-55-24-8-4-20-48(55)36-40-68(73)90/h1-43H
InChIKeyMFNDKWFXBXGNBT-UHFFFAOYSA-N
MW1176.24 g/mol
LogP22.26
Rot. Bonds5

About 2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile

2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile (PubChem CID 121303132) has the molecular formula C79H43F6N5 and a molecular weight of 1176.24 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
PubChem CID121303132
Molecular FormulaC79H43F6N5
Molecular Weight1176.24 g/mol
Exact Mass1175.34
IUPAC Name2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3c4ccccc4ccc32)c(-n2c3ccccc3c3c4ccccc4ccc32)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-n2c3ccccc3c3c4ccccc4ccc32)c1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C79H43F6N5/c80-78(81,82)50-41-49(42-51(43-50)79(83,84)85)69-76(89-63-31-15-11-27-58(63)72-54-23-7-3-19-47(54)35-39-67(72)89)74(87-61-29-13-9-25-56(61)70-52-21-5-1-17-45(52)33-37-65(70)87)60(44-86)75(88-62-30-14-10-26-57(62)71-53-22-6-2-18-46(53)34-38-66(71)88)77(69)90-64-32-16-12-28-59(64)73-55-24-8-4-20-48(55)36-40-68(73)90/h1-43H
InChIKeyMFNDKWFXBXGNBT-UHFFFAOYSA-N
XLogP22.26
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001176.24
LogP ≤ 522.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 121303123
3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile
CID 118051776
2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 121312232
3,5-di(carbazol-9-yl)-4-[3-(2,2-dimethylpropyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 153496727
3,4-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-5,6-di(carbazol-9-yl)benzene-1,2-dicarbonitrile
CID 137368920
2,3,5-tris(benzo[c]carbazol-7-yl)-6-(5,6-dihydrobenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 155417355
4,6-di(carbazol-9-yl)-5-dibenzofuran-2-yl-2-(22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-12-yl)benzene-1,3-dicarbonitrile
CID 146562135
2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
CID 121328874
2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146532465
3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167107984
2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 139302869
2,6-di(carbazol-9-yl)-3,5-bis(3,6-ditert-butylcarbazol-9-yl)-4-phenylbenzonitrile
CID 137369191

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile (CID 121303132) is 2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3ccccc3c3c4ccccc4ccc32)c(-n2c3ccccc3c3c4ccccc4ccc32)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-n2c3ccccc3c3c4ccccc4ccc32)c1-n1c2ccccc2c2c3ccccc3ccc21.
What is the InChIKey of 2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is MFNDKWFXBXGNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H43F6N5/c80-78(81,82)50-41-49(42-51(43-50)79(83,84)85)69-76(89-63-31-15-11-27-58(63)72-54-23-7-3-19-47(54)35-39-67(72)89)74(87-61-29-13-9-25-56(61)70-52-21-5-1-17-45(52)33-37-65(70)87)60(44-86)75(88-62-30-14-10-26-57(62)71-53-22-6-2-18-46(53)34-38-66(71)88)77(69)90-64-32-16-12-28-59(64)73-55-24-8-4-20-48(55)36-40-68(73)90/h1-43H.
What are the key properties of 2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile?
2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1176.24 g/mol, XLogP of 22.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 121303132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).