9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile

C52H26N8 — CID 89064655

IUPAC9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3cccnc3)c3cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)ccc3c(-c3cccnc3)c2c1
InChIInChI=1S/C52H26N8/c53-25-31-5-13-47-41(19-31)42-20-32(26-54)6-14-48(42)59(47)37-10-12-40-45(23-37)51(35-3-1-17-57-29-35)39-11-9-38(24-46(39)52(40)36-4-2-18-58-30-36)60-49-15-7-33(27-55)21-43(49)44-22-34(28-56)8-16-50(44)60/h1-24,29-30H
InChIKeyJRYUZEDXVJMMRN-UHFFFAOYSA-N
MW762.84 g/mol
LogP11.80
Rot. Bonds4

About 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile

9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile (PubChem CID 89064655) has the molecular formula C52H26N8 and a molecular weight of 762.84 g/mol. Its IUPAC name is 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
PubChem CID89064655
Molecular FormulaC52H26N8
Molecular Weight762.84 g/mol
Exact Mass762.23
IUPAC Name9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3cccnc3)c3cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)ccc3c(-c3cccnc3)c2c1
InChIInChI=1S/C52H26N8/c53-25-31-5-13-47-41(19-31)42-20-32(26-54)6-14-48(42)59(47)37-10-12-40-45(23-37)51(35-3-1-17-57-29-35)39-11-9-38(24-46(39)52(40)36-4-2-18-58-30-36)60-49-15-7-33(27-55)21-43(49)44-22-34(28-56)8-16-50(44)60/h1-24,29-30H
InChIKeyJRYUZEDXVJMMRN-UHFFFAOYSA-N
XLogP11.80
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.84
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole
CID 59357188
9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 166785139
9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile
CID 157324768
9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064644
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 138579059
4-[10-(4-cyanophenyl)-2,6-bis(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]benzonitrile
CID 89064691
1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile
CID 123248615
9-[6-(3,6-dicyanocarbazol-9-yl)-10-[4-(1,1-difluoroethyl)phenyl]-9-[4-(trifluoromethyl)phenyl]anthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064680
9-[3-(1,3-benzoxazol-2-yl)-2,4,5-tris(3,6-dicyanocarbazol-9-yl)-6-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 150579006
9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064687
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile
CID 137388859
9-[10-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]carbazole-3-carbonitrile
CID 121441442

Frequently Asked Questions

What is the IUPAC name of 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile (CID 89064655) is 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3cccnc3)c3cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)ccc3c(-c3cccnc3)c2c1.
What is the InChIKey of 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile?
The InChIKey is JRYUZEDXVJMMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H26N8/c53-25-31-5-13-47-41(19-31)42-20-32(26-54)6-14-48(42)59(47)37-10-12-40-45(23-37)51(35-3-1-17-57-29-35)39-11-9-38(24-46(39)52(40)36-4-2-18-58-30-36)60-49-15-7-33(27-55)21-43(49)44-22-34(28-56)8-16-50(44)60/h1-24,29-30H.
What are the key properties of 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile?
9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile has a molecular weight of 762.84 g/mol, XLogP of 11.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 89064655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).