2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile

C80H44F6N8 — CID 137369136

IUPAC2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)nc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C80H44F6N8/c81-79(82,83)46-35-37-56-50-23-7-15-31-65(50)91(69(56)43-46)75-62(45-87)76(93-67-33-17-11-27-54(67)60-41-39-58-52-25-9-13-29-63(52)89(71(58)73(60)93)48-19-3-1-4-20-48)77(92-66-32-16-8-24-51(66)57-38-36-47(44-70(57)92)80(84,85)86)88-78(75)94-68-34-18-12-28-55(68)61-42-40-59-53-26-10-14-30-64(53)90(72(59)74(61)94)49-21-5-2-6-22-49/h1-44H
InChIKeyRWFLPXINAGGXCB-UHFFFAOYSA-N
MW1231.28 g/mol
LogP21.57
Rot. Bonds6

About 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile

2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (PubChem CID 137369136) has the molecular formula C80H44F6N8 and a molecular weight of 1231.28 g/mol. Its IUPAC name is 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
PubChem CID137369136
Molecular FormulaC80H44F6N8
Molecular Weight1231.28 g/mol
Exact Mass1230.36
IUPAC Name2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)nc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C80H44F6N8/c81-79(82,83)46-35-37-56-50-23-7-15-31-65(50)91(69(56)43-46)75-62(45-87)76(93-67-33-17-11-27-54(67)60-41-39-58-52-25-9-13-29-63(52)89(71(58)73(60)93)48-19-3-1-4-20-48)77(92-66-32-16-8-24-51(66)57-38-36-47(44-70(57)92)80(84,85)86)88-78(75)94-68-34-18-12-28-55(68)61-42-40-59-53-26-10-14-30-64(53)90(72(59)74(61)94)49-21-5-2-6-22-49/h1-44H
InChIKeyRWFLPXINAGGXCB-UHFFFAOYSA-N
XLogP21.57
TPSA66.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001231.28
LogP ≤ 521.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The IUPAC name of 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (CID 137369136) is 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is N#Cc1c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)nc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The InChIKey is RWFLPXINAGGXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H44F6N8/c81-79(82,83)46-35-37-56-50-23-7-15-31-65(50)91(69(56)43-46)75-62(45-87)76(93-67-33-17-11-27-54(67)60-41-39-58-52-25-9-13-29-63(52)89(71(58)73(60)93)48-19-3-1-4-20-48)77(92-66-32-16-8-24-51(66)57-38-36-47(44-70(57)92)80(84,85)86)88-78(75)94-68-34-18-12-28-55(68)61-42-40-59-53-26-10-14-30-64(53)90(72(59)74(61)94)49-21-5-2-6-22-49/h1-44H.
What are the key properties of 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile has a molecular weight of 1231.28 g/mol, XLogP of 21.57, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 137369136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).