About 9-[6-(9-cyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[6-(9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;10-[6-(10-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile
9-[6-(9-cyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[6-(9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;10-[6-(10-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile (PubChem CID 162022869) has the molecular formula C236H134N12
and a molecular weight of 3137.75 g/mol. Its IUPAC name is 9-[6-(9-cyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[6-(9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;10-[6-(10-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of 9-[6-(9-cyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[6-(9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;10-[6-(10-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile?
The IUPAC name of 9-[6-(9-cyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[6-(9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;10-[6-(10-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile (CID 162022869) is 9-[6-(9-cyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[6-(9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;10-[6-(10-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile.
What is the SMILES notation for 9-[6-(9-cyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[6-(9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;10-[6-(10-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile?
The canonical SMILES for 9-[6-(9-cyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[6-(9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;10-[6-(10-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile is N#Cc1ccc2c3c1ccc1c(-c4ccc5c(-c6cccc7ccccc67)c6cc(-c7ccc8c9c7ccc7c(C#N)ccc(c79)n8-c7ccccc7)ccc6c(-c6cccc7ccccc67)c5c4)ccc(c13)n2-c1ccccc1.[C-]#[N+]c1cc2ccc3cc(-c4ccc5c(-c6ccc(-c7ccccc7)cc6)c6cc(-c7cc8ccc9cc(C#N)cc%10c9c8c(c7)n%10-c7ccccc7)ccc6c(-c6ccc(-c7ccccc7)cc6)c5c4)cc4c3c2c(c1)n4-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4ccc5c(-c6ccc(-c7ccccc7)cc6)c6cc(-c7ccc8c9c7ccc7c(C#N)ccc(c79)n8-c7ccccc7)ccc6c(-c6ccc(-c7ccccc7)cc6)c5c4)ccc(c13)n2-c1ccccc1.
What is the InChIKey of 9-[6-(9-cyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[6-(9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;10-[6-(10-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile?
The InChIKey is YUZAJRKSEVGTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C80H46N4.C76H42N4/c1-82-70-41-45-74-80-67(70)38-37-64-61(40-44-73(79(64)80)84(74)59-20-12-5-13-21-59)56-31-34-66-69(47-56)76(54-28-24-52(25-29-54)50-16-8-3-9-17-50)65-33-30-55(46-68(65)75(66)53-26-22-51(23-27-53)49-14-6-2-7-15-49)60-39-43-72-78-63(60)36-35-62-57(48-81)32-42-71(77(62)78)83(72)58-18-10-4-11-19-58;1-82-64-42-61-33-32-60-41-63(46-73-79(60)80(61)74(47-64)84(73)66-20-12-5-13-21-66)57-35-37-68-70(44-57)76(55-28-24-53(25-29-55)51-16-8-3-9-17-51)67-36-34-56(43-69(67)75(68)54-26-22-52(23-27-54)50-14-6-2-7-15-50)62-40-59-31-30-58-38-49(48-81)39-71-77(58)78(59)72(45-62)83(71)65-18-10-4-11-19-65;77-43-49-27-37-67-73-57(49)31-33-61-55(35-39-69(75(61)73)79(67)51-17-3-1-4-18-51)47-25-29-63-65(41-47)71(59-23-11-15-45-13-7-9-21-53(45)59)64-30-26-48(42-66(64)72(63)60-24-12-16-46-14-8-10-22-54(46)60)56-36-40-70-76-62(56)34-32-58-50(44-78)28-38-68(74(58)76)80(70)52-19-5-2-6-20-52/h2*2-47H;1-42H.
What are the key properties of 9-[6-(9-cyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[6-(9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;10-[6-(10-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile?
9-[6-(9-cyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[6-(9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;10-[6-(10-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile has a molecular weight of 3137.75 g/mol, XLogP of 63.67, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(9-cyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[6-(9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;10-[6-(10-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile is sourced from PubChem (CID 162022869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).