2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile

C84H50N8 — CID 146544203

IUPAC2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ncc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C84H50N8/c85-50-52-19-1-2-20-57(52)70-49-84(92-81-43-39-55(89-75-33-15-7-25-62(75)63-26-8-16-34-76(63)89)47-68(81)69-48-56(40-44-82(69)92)90-77-35-17-9-27-64(77)65-28-10-18-36-78(65)90)86-51-83(70)91-79-41-37-53(87-71-29-11-3-21-58(71)59-22-4-12-30-72(59)87)45-66(79)67-46-54(38-42-80(67)91)88-73-31-13-5-23-60(73)61-24-6-14-32-74(61)88/h1-49,51H
InChIKeyUREHUDVMZLUEGM-UHFFFAOYSA-N
MW1171.38 g/mol
LogP21.20
Rot. Bonds7

About 2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile

2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146544203) has the molecular formula C84H50N8 and a molecular weight of 1171.38 g/mol. Its IUPAC name is 2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146544203
Molecular FormulaC84H50N8
Molecular Weight1171.38 g/mol
Exact Mass1170.42
IUPAC Name2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ncc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C84H50N8/c85-50-52-19-1-2-20-57(52)70-49-84(92-81-43-39-55(89-75-33-15-7-25-62(75)63-26-8-16-34-76(63)89)47-68(81)69-48-56(40-44-82(69)92)90-77-35-17-9-27-64(77)65-28-10-18-36-78(65)90)86-51-83(70)91-79-41-37-53(87-71-29-11-3-21-58(71)59-22-4-12-30-72(59)87)45-66(79)67-46-54(38-42-80(67)91)88-73-31-13-5-23-60(73)61-24-6-14-32-74(61)88/h1-49,51H
InChIKeyUREHUDVMZLUEGM-UHFFFAOYSA-N
XLogP21.20
TPSA66.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.38
LogP ≤ 521.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546475
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
3-[2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 159452208
2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile
CID 146543771
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[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146544203) is 2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile is N#Cc1ccccc1-c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ncc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is UREHUDVMZLUEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50N8/c85-50-52-19-1-2-20-57(52)70-49-84(92-81-43-39-55(89-75-33-15-7-25-62(75)63-26-8-16-34-76(63)89)47-68(81)69-48-56(40-44-82(69)92)90-77-35-17-9-27-64(77)65-28-10-18-36-78(65)90)86-51-83(70)91-79-41-37-53(87-71-29-11-3-21-58(71)59-22-4-12-30-72(59)87)45-66(79)67-46-54(38-42-80(67)91)88-73-31-13-5-23-60(73)61-24-6-14-32-74(61)88/h1-49,51H.
What are the key properties of 2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 1171.38 g/mol, XLogP of 21.20, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146544203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).