3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile

C71H41N9 — CID 163719640

IUPAC3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3cccc(C#N)c3-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)nc(-c3cccnc3)n2)c1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C71H41N9/c72-41-44-18-15-29-53(69(44)79-63-33-13-9-27-51(63)57-36-55-49-25-7-11-31-61(49)77(65(55)39-67(57)79)47-21-3-1-4-22-47)59-38-60(76-71(75-59)46-20-17-35-74-43-46)54-30-16-19-45(42-73)70(54)80-64-34-14-10-28-52(64)58-37-56-50-26-8-12-32-62(50)78(66(56)40-68(58)80)48-23-5-2-6-24-48/h1-40,43H
InChIKeyKQKJQBUJPURMNC-UHFFFAOYSA-N
MW1020.17 g/mol
LogP17.00
Rot. Bonds7

About 3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile

3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile (PubChem CID 163719640) has the molecular formula C71H41N9 and a molecular weight of 1020.17 g/mol. Its IUPAC name is 3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
PubChem CID163719640
Molecular FormulaC71H41N9
Molecular Weight1020.17 g/mol
Exact Mass1019.35
IUPAC Name3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3cccc(C#N)c3-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)nc(-c3cccnc3)n2)c1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C71H41N9/c72-41-44-18-15-29-53(69(44)79-63-33-13-9-27-51(63)57-36-55-49-25-7-11-31-61(49)77(65(55)39-67(57)79)47-21-3-1-4-22-47)59-38-60(76-71(75-59)46-20-17-35-74-43-46)54-30-16-19-45(42-73)70(54)80-64-34-14-10-28-52(64)58-37-56-50-26-8-12-32-62(50)78(66(56)40-68(58)80)48-23-5-2-6-24-48/h1-40,43H
InChIKeyKQKJQBUJPURMNC-UHFFFAOYSA-N
XLogP17.00
TPSA105.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001020.17
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile with MolForge

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Related Compounds

3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 129291094
2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile
CID 139523878
9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole
CID 163562263
2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile
CID 146544389
2-carbazol-9-yl-3-[4-(3-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155079640
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 160869531
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 139495914
9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole
CID 162774177
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 169060002
2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile
CID 163638395
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-pyridin-3-yl-1,5-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2,4(12),6(11),7,9,13,15,17,19,21,23,25,27-tridecaene
CID 118331051
26-(3-pyridin-3-ylphenyl)-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432851

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
The IUPAC name of 3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile (CID 163719640) is 3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
The canonical SMILES for 3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile is N#Cc1cccc(-c2cc(-c3cccc(C#N)c3-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)nc(-c3cccnc3)n2)c1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
The InChIKey is KQKJQBUJPURMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H41N9/c72-41-44-18-15-29-53(69(44)79-63-33-13-9-27-51(63)57-36-55-49-25-7-11-31-61(49)77(65(55)39-67(57)79)47-21-3-1-4-22-47)59-38-60(76-71(75-59)46-20-17-35-74-43-46)54-30-16-19-45(42-73)70(54)80-64-34-14-10-28-52(64)58-37-56-50-26-8-12-32-62(50)78(66(56)40-68(58)80)48-23-5-2-6-24-48/h1-40,43H.
What are the key properties of 3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile has a molecular weight of 1020.17 g/mol, XLogP of 17.00, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 163719640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).