9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile

C64H36N6 — CID 89064687

IUPAC9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile
SMILESCc1ccc2ccccc2c1-c1c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc2c(-c2c(C)ccc3ccccc23)c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc12
InChIInChI=1S/C64H36N6/c1-37-11-17-43-7-3-5-9-47(43)61(37)63-49-21-19-46(70-59-25-15-41(35-67)29-53(59)54-30-42(36-68)16-26-60(54)70)32-56(49)64(62-38(2)12-18-44-8-4-6-10-48(44)62)50-22-20-45(31-55(50)63)69-57-23-13-39(33-65)27-51(57)52-28-40(34-66)14-24-58(52)69/h3-32H,1-2H3
InChIKeyAMWJYKOETQSXDZ-UHFFFAOYSA-N
MW889.03 g/mol
LogP15.93
Rot. Bonds4

About 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile

9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile (PubChem CID 89064687) has the molecular formula C64H36N6 and a molecular weight of 889.03 g/mol. Its IUPAC name is 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile
PubChem CID89064687
Molecular FormulaC64H36N6
Molecular Weight889.03 g/mol
Exact Mass888.30
IUPAC Name9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile
SMILESCc1ccc2ccccc2c1-c1c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc2c(-c2c(C)ccc3ccccc23)c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc12
InChIInChI=1S/C64H36N6/c1-37-11-17-43-7-3-5-9-47(43)61(37)63-49-21-19-46(70-59-25-15-41(35-67)29-53(59)54-30-42(36-68)16-26-60(54)70)32-56(49)64(62-38(2)12-18-44-8-4-6-10-48(44)62)50-22-20-45(31-55(50)63)69-57-23-13-39(33-65)27-51(57)52-28-40(34-66)14-24-58(52)69/h3-32H,1-2H3
InChIKeyAMWJYKOETQSXDZ-UHFFFAOYSA-N
XLogP15.93
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.03
LogP ≤ 515.93
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-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 59357250
9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064644
9-[6-carbazol-9-yl-9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole;9-(6-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
CID 161048661
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064655
2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile
CID 145009443
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
4-(4-cyano-2-methylphenyl)-3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 142414150
4-[3-(2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-13-yl)carbazol-9-yl]benzonitrile
CID 146617362
9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 158550567

Frequently Asked Questions

What is the IUPAC name of 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile (CID 89064687) is 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile is Cc1ccc2ccccc2c1-c1c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc2c(-c2c(C)ccc3ccccc23)c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc12.
What is the InChIKey of 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile?
The InChIKey is AMWJYKOETQSXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36N6/c1-37-11-17-43-7-3-5-9-47(43)61(37)63-49-21-19-46(70-59-25-15-41(35-67)29-53(59)54-30-42(36-68)16-26-60(54)70)32-56(49)64(62-38(2)12-18-44-8-4-6-10-48(44)62)50-22-20-45(31-55(50)63)69-57-23-13-39(33-65)27-51(57)52-28-40(34-66)14-24-58(52)69/h3-32H,1-2H3.
What are the key properties of 9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile?
9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile has a molecular weight of 889.03 g/mol, XLogP of 15.93, 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-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 89064687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).