2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile

C60H36N6 — CID 146546475

IUPAC2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ncc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C60H36N6/c61-36-38-15-1-2-16-41(38)50-35-60(66-56-28-14-8-22-47(56)49-34-40(30-32-58(49)66)64-53-25-11-5-19-44(53)45-20-6-12-26-54(45)64)62-37-59(50)65-55-27-13-7-21-46(55)48-33-39(29-31-57(48)65)63-51-23-9-3-17-42(51)43-18-4-10-24-52(43)63/h1-35,37H
InChIKeyOTNGQPIPHANPAD-UHFFFAOYSA-N
MW840.99 g/mol
LogP15.01
Rot. Bonds5

About 2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile

2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile (PubChem CID 146546475) has the molecular formula C60H36N6 and a molecular weight of 840.99 g/mol. Its IUPAC name is 2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
PubChem CID146546475
Molecular FormulaC60H36N6
Molecular Weight840.99 g/mol
Exact Mass840.30
IUPAC Name2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ncc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C60H36N6/c61-36-38-15-1-2-16-41(38)50-35-60(66-56-28-14-8-22-47(56)49-34-40(30-32-58(49)66)64-53-25-11-5-19-44(53)45-20-6-12-26-54(45)64)62-37-59(50)65-55-27-13-7-21-46(55)48-33-39(29-31-57(48)65)63-51-23-9-3-17-42(51)43-18-4-10-24-52(43)63/h1-35,37H
InChIKeyOTNGQPIPHANPAD-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

2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544203
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759243
2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546497
2-[9-[5-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-(2-cyanophenyl)-2-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142452327
2-[2,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153043769
2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile
CID 142753936
2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 142452400
2-[2,6-bis(2-cyanophenyl)pyrimidin-4-yl]-5-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 126735062
2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile
CID 146543771
3-[2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 159452208
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931
2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile
CID 142452311

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The IUPAC name of 2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile (CID 146546475) is 2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile is N#Cc1ccccc1-c1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ncc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The InChIKey is OTNGQPIPHANPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6/c61-36-38-15-1-2-16-41(38)50-35-60(66-56-28-14-8-22-47(56)49-34-40(30-32-58(49)66)64-53-25-11-5-19-44(53)45-20-6-12-26-54(45)64)62-37-59(50)65-55-27-13-7-21-46(55)48-33-39(29-31-57(48)65)63-51-23-9-3-17-42(51)43-18-4-10-24-52(43)63/h1-35,37H.
What are the key properties of 2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
2-[2,5-bis(3-carbazol-9-ylcarbazol-9-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-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146546475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).