2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile

C60H36N6 — CID 146544389

IUPAC2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccnc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C60H36N6/c61-37-38-17-7-8-22-41(38)46-31-32-62-60(66-54-30-16-12-26-45(54)50-34-48-43-24-10-14-28-52(43)64(56(48)36-58(50)66)40-20-5-2-6-21-40)59(46)65-53-29-15-11-25-44(53)49-33-47-42-23-9-13-27-51(42)63(55(47)35-57(49)65)39-18-3-1-4-19-39/h1-36H
InChIKeyCBQMIRFEQYIXFI-UHFFFAOYSA-N
MW840.99 g/mol
LogP15.01
Rot. Bonds5

About 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile

2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile (PubChem CID 146544389) has the molecular formula C60H36N6 and a molecular weight of 840.99 g/mol. Its IUPAC name is 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile
PubChem CID146544389
Molecular FormulaC60H36N6
Molecular Weight840.99 g/mol
Exact Mass840.30
IUPAC Name2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccnc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C60H36N6/c61-37-38-17-7-8-22-41(38)46-31-32-62-60(66-54-30-16-12-26-45(54)50-34-48-43-24-10-14-28-52(43)64(56(48)36-58(50)66)40-20-5-2-6-21-40)59(46)65-53-29-15-11-25-44(53)49-33-47-42-23-9-13-27-51(42)63(55(47)35-57(49)65)39-18-3-1-4-19-39/h1-36H
InChIKeyCBQMIRFEQYIXFI-UHFFFAOYSA-N
XLogP15.01
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.99
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 129291094
2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
CID 164986770
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
3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 134604425
3,5-bis(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 166572197
9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile
CID 134597736
3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 166572147
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
2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 167055280
2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544203
2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546475
2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile
CID 134604230

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile?
The IUPAC name of 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile (CID 146544389) is 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile is N#Cc1ccccc1-c1ccnc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile?
The InChIKey is CBQMIRFEQYIXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6/c61-37-38-17-7-8-22-41(38)46-31-32-62-60(66-54-30-16-12-26-45(54)50-34-48-43-24-10-14-28-52(43)64(56(48)36-58(50)66)40-20-5-2-6-21-40)59(46)65-53-29-15-11-25-44(53)49-33-47-42-23-9-13-27-51(42)63(55(47)35-57(49)65)39-18-3-1-4-19-39/h1-36H.
What are the key properties of 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile?
2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile has a molecular weight of 840.99 g/mol, XLogP of 15.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146544389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).