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

C60H36N6 — CID 146409612

IUPAC4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1cnccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C60H36N6/c61-36-38-25-26-39(65-56-23-11-5-17-46(56)49-34-40(27-29-58(49)65)63-52-19-7-1-13-42(52)43-14-2-8-20-53(43)63)33-48(38)51-37-62-32-31-60(51)66-57-24-12-6-18-47(57)50-35-41(28-30-59(50)66)64-54-21-9-3-15-44(54)45-16-4-10-22-55(45)64/h1-35,37H
InChIKeyQMVPYZRENRHVMS-UHFFFAOYSA-N
MW840.99 g/mol
LogP15.01
Rot. Bonds5

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

4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile (PubChem CID 146409612) has the molecular formula C60H36N6 and a molecular weight of 840.99 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile
PubChem CID146409612
Molecular FormulaC60H36N6
Molecular Weight840.99 g/mol
Exact Mass840.30
IUPAC Name4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1cnccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C60H36N6/c61-36-38-25-26-39(65-56-23-11-5-17-46(56)49-34-40(27-29-58(49)65)63-52-19-7-1-13-42(52)43-14-2-8-20-53(43)63)33-48(38)51-37-62-32-31-60(51)66-57-24-12-6-18-47(57)50-35-41(28-30-59(50)66)64-54-21-9-3-15-44(54)45-16-4-10-22-55(45)64/h1-35,37H
InChIKeyQMVPYZRENRHVMS-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

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 146409650
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 146409384
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292574
9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542601
2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile
CID 139523629
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495084
4-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759079
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
4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile
CID 155081796
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081408
2-[2-cyano-5-(3-methoxycarbazol-9-yl)phenyl]-4-(3-methoxycarbazol-9-yl)benzonitrile
CID 138749753

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile?
The IUPAC name of 4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile (CID 146409612) is 4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1cnccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile?
The InChIKey is QMVPYZRENRHVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6/c61-36-38-25-26-39(65-56-23-11-5-17-46(56)49-34-40(27-29-58(49)65)63-52-19-7-1-13-42(52)43-14-2-8-20-53(43)63)33-48(38)51-37-62-32-31-60(51)66-57-24-12-6-18-47(57)50-35-41(28-30-59(50)66)64-54-21-9-3-15-44(54)45-16-4-10-22-55(45)64/h1-35,37H.
What are the key properties of 4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile?
4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-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 4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 146409612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).