4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile

C85H49N9 — CID 166759220

IUPAC4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1C#N
InChIInChI=1S/C85H49N9/c86-49-53-38-37-52(45-54(53)50-87)83-82(92-76-34-16-7-25-64(76)67-46-55(39-42-79(67)92)89-70-28-10-1-19-58(70)59-20-2-11-29-71(59)89)51-88-85(94-78-36-18-9-27-66(78)69-48-57(41-44-81(69)94)91-74-32-14-5-23-62(74)63-24-6-15-33-75(63)91)84(83)93-77-35-17-8-26-65(77)68-47-56(40-43-80(68)93)90-72-30-12-3-21-60(72)61-22-4-13-31-73(61)90/h1-48,51H
InChIKeyZNOFFCVZXYSTMF-UHFFFAOYSA-N
MW1196.39 g/mol
LogP21.07
Rot. Bonds7

About 4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile

4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile (PubChem CID 166759220) has the molecular formula C85H49N9 and a molecular weight of 1196.39 g/mol. Its IUPAC name is 4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
PubChem CID166759220
Molecular FormulaC85H49N9
Molecular Weight1196.39 g/mol
Exact Mass1195.41
IUPAC Name4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1C#N
InChIInChI=1S/C85H49N9/c86-49-53-38-37-52(45-54(53)50-87)83-82(92-76-34-16-7-25-64(76)67-46-55(39-42-79(67)92)89-70-28-10-1-19-58(70)59-20-2-11-29-71(59)89)51-88-85(94-78-36-18-9-27-66(78)69-48-57(41-44-81(69)94)91-74-32-14-5-23-62(74)63-24-6-15-33-75(63)91)84(83)93-77-35-17-8-26-65(77)68-47-56(40-43-80(68)93)90-72-30-12-3-21-60(72)61-22-4-13-31-73(61)90/h1-48,51H
InChIKeyZNOFFCVZXYSTMF-UHFFFAOYSA-N
XLogP21.07
TPSA90.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001196.39
LogP ≤ 521.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile with MolForge

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Related Compounds

4-[3,5-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5-tri(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 160513961
4-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759079
4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 121354175
2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile
CID 142753936
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]benzene-1,2-dicarbonitrile
CID 140903142
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,2-dicarbonitrile
CID 140903115
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759136
9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole
CID 152654561
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
6-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 149191639
2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 126734578

Frequently Asked Questions

What is the IUPAC name of 4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile (CID 166759220) is 4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile is N#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1C#N.
What is the InChIKey of 4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile?
The InChIKey is ZNOFFCVZXYSTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H49N9/c86-49-53-38-37-52(45-54(53)50-87)83-82(92-76-34-16-7-25-64(76)67-46-55(39-42-79(67)92)89-70-28-10-1-19-58(70)59-20-2-11-29-71(59)89)51-88-85(94-78-36-18-9-27-66(78)69-48-57(41-44-81(69)94)91-74-32-14-5-23-62(74)63-24-6-15-33-75(63)91)84(83)93-77-35-17-8-26-65(77)68-47-56(40-43-80(68)93)90-72-30-12-3-21-60(72)61-22-4-13-31-73(61)90/h1-48,51H.
What are the key properties of 4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile?
4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile has a molecular weight of 1196.39 g/mol, XLogP of 21.07, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 166759220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).