9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile

C62H32N6 — CID 89064644

IUPAC9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3cccc4ccccc34)c3cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)ccc3c(-c3cccc4ccccc34)c2c1
InChIInChI=1S/C62H32N6/c63-33-37-15-23-57-51(27-37)52-28-38(34-64)16-24-58(52)67(57)43-20-22-50-55(31-43)61(47-13-5-9-41-7-1-3-11-45(41)47)49-21-19-44(32-56(49)62(50)48-14-6-10-42-8-2-4-12-46(42)48)68-59-25-17-39(35-65)29-53(59)54-30-40(36-66)18-26-60(54)68/h1-32H
InChIKeyHFHSGGFYJMMHPR-UHFFFAOYSA-N
MW860.98 g/mol
LogP15.31
Rot. Bonds4

About 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile

9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile (PubChem CID 89064644) has the molecular formula C62H32N6 and a molecular weight of 860.98 g/mol. Its IUPAC name is 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
PubChem CID89064644
Molecular FormulaC62H32N6
Molecular Weight860.98 g/mol
Exact Mass860.27
IUPAC Name9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3cccc4ccccc34)c3cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)ccc3c(-c3cccc4ccccc34)c2c1
InChIInChI=1S/C62H32N6/c63-33-37-15-23-57-51(27-37)52-28-38(34-64)16-24-58(52)67(57)43-20-22-50-55(31-43)61(47-13-5-9-41-7-1-3-11-45(41)47)49-21-19-44(32-56(49)62(50)48-14-6-10-42-8-2-4-12-46(42)48)68-59-25-17-39(35-65)29-53(59)54-30-40(36-66)18-26-60(54)68/h1-32H
InChIKeyHFHSGGFYJMMHPR-UHFFFAOYSA-N
XLogP15.31
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.98
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064687
9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole
CID 59220010
9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 59357240
9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 59357250
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 90336200
9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(phenanthren-9-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 158785438
2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile
CID 145009443
9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 154958508
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369918

Frequently Asked Questions

What is the IUPAC name of 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile (CID 89064644) is 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3cccc4ccccc34)c3cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)ccc3c(-c3cccc4ccccc34)c2c1.
What is the InChIKey of 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile?
The InChIKey is HFHSGGFYJMMHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H32N6/c63-33-37-15-23-57-51(27-37)52-28-38(34-64)16-24-58(52)67(57)43-20-22-50-55(31-43)61(47-13-5-9-41-7-1-3-11-45(41)47)49-21-19-44(32-56(49)62(50)48-14-6-10-42-8-2-4-12-46(42)48)68-59-25-17-39(35-65)29-53(59)54-30-40(36-66)18-26-60(54)68/h1-32H.
What are the key properties of 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile?
9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile has a molecular weight of 860.98 g/mol, XLogP of 15.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 89064644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).