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

C120H60N16 — CID 158550567

IUPAC9-[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
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3ccc4ccccc4n3)c3cc(-n4c5ccc(C#N)cc5c5cc([N+]#[C-])ccc54)ccc3c(-c3ccc4ccccc4n3)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3nccc4ccccc34)c3cc(-n4c5ccc(C#N)cc5c5cc([N+]#[C-])ccc54)ccc3c(-c3nccc4ccccc34)c2c1
InChIInChI=1S/2C60H30N8/c1-63-39-15-25-57-47(29-39)45-27-35(33-61)11-23-55(45)67(57)41-17-19-43-49(31-41)59(53-21-13-37-7-3-5-9-51(37)65-53)44-20-18-42(32-50(44)60(43)54-22-14-38-8-4-6-10-52(38)66-54)68-56-24-12-36(34-62)28-46(56)48-30-40(64-2)16-26-58(48)68;1-63-39-13-21-55-49(29-39)47-27-35(33-61)11-19-53(47)67(55)41-15-17-45-51(31-41)57(59-43-9-5-3-7-37(43)23-25-65-59)46-18-16-42(32-52(46)58(45)60-44-10-6-4-8-38(44)24-26-66-60)68-54-20-12-36(34-62)28-48(54)50-30-40(64-2)14-22-56(50)68/h2*3-32H
InChIKeyHPQXOKCTSJMFSX-UHFFFAOYSA-N
MW1725.91 g/mol
LogP30.93
Rot. Bonds8

About 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

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 (PubChem CID 158550567) has the molecular formula C120H60N16 and a molecular weight of 1725.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID158550567
Molecular FormulaC120H60N16
Molecular Weight1725.91 g/mol
Exact Mass1724.52
IUPAC Name9-[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
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3ccc4ccccc4n3)c3cc(-n4c5ccc(C#N)cc5c5cc([N+]#[C-])ccc54)ccc3c(-c3ccc4ccccc4n3)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3nccc4ccccc34)c3cc(-n4c5ccc(C#N)cc5c5cc([N+]#[C-])ccc54)ccc3c(-c3nccc4ccccc34)c2c1
InChIInChI=1S/2C60H30N8/c1-63-39-15-25-57-47(29-39)45-27-35(33-61)11-23-55(45)67(57)41-17-19-43-49(31-41)59(53-21-13-37-7-3-5-9-51(37)65-53)44-20-18-42(32-50(44)60(43)54-22-14-38-8-4-6-10-52(38)66-54)68-56-24-12-36(34-62)28-46(56)48-30-40(64-2)16-26-58(48)68;1-63-39-13-21-55-49(29-39)47-27-35(33-61)11-19-53(47)67(55)41-15-17-45-51(31-41)57(59-43-9-5-3-7-37(43)23-25-65-59)46-18-16-42(32-52(46)58(45)60-44-10-6-4-8-38(44)24-26-66-60)68-54-20-12-36(34-62)28-48(54)50-30-40(64-2)14-22-56(50)68/h2*3-32H
InChIKeyHPQXOKCTSJMFSX-UHFFFAOYSA-N
XLogP30.93
TPSA183.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001725.91
LogP ≤ 530.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 123176702
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-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064644
9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-3,6-difluorocarbazole
CID 158367441
9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 159382182
9-[4-[4-(3,6-diisocyanocarbazol-9-yl)-N-naphthalen-2-ylanilino]phenyl]carbazole-3,6-dicarbonitrile
CID 20781591
9-[3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140775511
9-[9,10-bis(4-tert-butylphenyl)-6-(3-cyano-6-isocyanocarbazol-9-yl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 158059116
9-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 157137099
4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 162198701
6-isocyano-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazole-3-carbonitrile
CID 123627774

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3ccc4ccccc4n3)c3cc(-n4c5ccc(C#N)cc5c5cc([N+]#[C-])ccc54)ccc3c(-c3ccc4ccccc4n3)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3nccc4ccccc34)c3cc(-n4c5ccc(C#N)cc5c5cc([N+]#[C-])ccc54)ccc3c(-c3nccc4ccccc34)c2c1.
What is the InChIKey of 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?
The InChIKey is HPQXOKCTSJMFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H30N8/c1-63-39-15-25-57-47(29-39)45-27-35(33-61)11-23-55(45)67(57)41-17-19-43-49(31-41)59(53-21-13-37-7-3-5-9-51(37)65-53)44-20-18-42(32-50(44)60(43)54-22-14-38-8-4-6-10-52(38)66-54)68-56-24-12-36(34-62)28-46(56)48-30-40(64-2)16-26-58(48)68;1-63-39-13-21-55-49(29-39)47-27-35(33-61)11-19-53(47)67(55)41-15-17-45-51(31-41)57(59-43-9-5-3-7-37(43)23-25-65-59)46-18-16-42(32-52(46)58(45)60-44-10-6-4-8-38(44)24-26-66-60)68-54-20-12-36(34-62)28-48(54)50-30-40(64-2)14-22-56(50)68/h2*3-32H.
What are the key properties of 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?
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 has a molecular weight of 1725.91 g/mol, XLogP of 30.93, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158550567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).