4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile

C416H245N27 — CID 157440011

About 4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile

4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-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 157440011) has the molecular formula C416H245N27 and a molecular weight of 5621.73 g/mol. Its IUPAC name is 4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-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: 157440011
• Molecular Formula: C416H245N27
• Molecular Weight: 5621.73 g/mol
• Exact Mass: 5617.00
• IUPAC Name: 4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile
• SMILES: N#Cc1cc2ccc3c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc4c3c2c(c1)n4-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6cc(-c7ccccn7)cc(-c7ccccn7)c6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6cc(-c7cccnc7)cc(-c7cccnc7)c6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccc(-n7c(-c8ccccc8)nc8ccccc87)cc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1
• InChI: InChI=1S/2C64H38N4.3C61H36N4.C60H35N5.C45H26N2/c1-65-55-37-39-59-63-54(55)35-34-53-52(36-38-58(62(53)63)67(59)42-16-4-2-5-17-42)61-49-24-12-10-22-47(49)60(48-23-11-13-25-50(48)61)51-33-32-44(45-20-8-9-21-46(45)51)40-28-30-41(31-29-40)64-66-56-26-14-15-27-57(56)68(64)43-18-6-3-7-19-43;1-65-55-37-39-59-63-54(55)35-34-53-52(36-38-58(62(53)63)67(59)42-18-6-3-7-19-42)61-49-24-12-10-22-47(49)60(48-23-11-13-25-50(48)61)51-33-32-44(45-20-8-9-21-46(45)51)40-28-30-43(31-29-40)68-57-27-15-14-26-56(57)66-64(68)41-16-4-2-5-17-41;1-62-52-34-36-56-60-51(52)32-30-49-48(33-35-55(59(49)60)65(56)40-21-9-4-10-22-40)58-45-27-15-13-25-43(45)57(44-26-14-16-28-46(44)58)47-29-31-50(42-24-12-11-23-41(42)47)61-63-53(38-17-5-2-6-18-38)37-54(64-61)39-19-7-3-8-20-39;1-62-55-28-30-57-61-54(55)26-25-53-52(27-29-56(60(53)61)65(57)43-15-3-2-4-16-43)59-49-21-9-7-19-47(49)58(48-20-8-10-22-50(48)59)51-24-23-44(45-17-5-6-18-46(45)51)42-34-40(38-13-11-31-63-36-38)33-41(35-42)39-14-12-32-64-37-39;1-62-55-30-32-57-61-52(55)28-27-51-50(29-31-56(60(51)61)65(57)41-15-3-2-4-16-41)59-47-21-9-7-19-45(47)58(46-20-8-10-22-48(46)59)49-26-25-42(43-17-5-6-18-44(43)49)38-35-39(53-23-11-13-33-63-53)37-40(36-38)54-24-12-14-34-64-54;1-61-51-34-36-53-57-50(51)32-30-48-47(33-35-52(56(48)57)65(53)39-21-9-4-10-22-39)55-44-27-15-13-25-42(44)54(43-26-14-16-28-45(43)55)46-29-31-49(41-24-12-11-23-40(41)46)60-63-58(37-17-5-2-6-18-37)62-59(64-60)38-19-7-3-8-20-38;46-27-28-25-30-21-22-39-38(23-24-40-45(39)42(30)41(26-28)47(40)31-13-2-1-3-14-31)44-36-18-8-6-16-34(36)43(35-17-7-9-19-37(35)44)33-20-10-12-29-11-4-5-15-32(29)33/h2*2-39H;3*2-37H;2-36H;1-26H
• InChIKey: BRODQVUMCLRTIJ-UHFFFAOYSA-N
• XLogP: 112.26
• TPSA: 236.11 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 39
• Heavy Atoms: 443
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5621.73
LogP ≤ 5	112.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-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 4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-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 157440011) is 4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-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 4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-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 4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-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#Cc1cc2ccc3c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc4c3c2c(c1)n4-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6cc(-c7ccccn7)cc(-c7ccccn7)c6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6cc(-c7cccnc7)cc(-c7cccnc7)c6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccc(-n7c(-c8ccccc8)nc8ccccc87)cc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1.

What is the InChIKey of 4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-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 BRODQVUMCLRTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C64H38N4.3C61H36N4.C60H35N5.C45H26N2/c1-65-55-37-39-59-63-54(55)35-34-53-52(36-38-58(62(53)63)67(59)42-16-4-2-5-17-42)61-49-24-12-10-22-47(49)60(48-23-11-13-25-50(48)61)51-33-32-44(45-20-8-9-21-46(45)51)40-28-30-41(31-29-40)64-66-56-26-14-15-27-57(56)68(64)43-18-6-3-7-19-43;1-65-55-37-39-59-63-54(55)35-34-53-52(36-38-58(62(53)63)67(59)42-18-6-3-7-19-42)61-49-24-12-10-22-47(49)60(48-23-11-13-25-50(48)61)51-33-32-44(45-20-8-9-21-46(45)51)40-28-30-43(31-29-40)68-57-27-15-14-26-56(57)66-64(68)41-16-4-2-5-17-41;1-62-52-34-36-56-60-51(52)32-30-49-48(33-35-55(59(49)60)65(56)40-21-9-4-10-22-40)58-45-27-15-13-25-43(45)57(44-26-14-16-28-46(44)58)47-29-31-50(42-24-12-11-23-41(42)47)61-63-53(38-17-5-2-6-18-38)37-54(64-61)39-19-7-3-8-20-39;1-62-55-28-30-57-61-54(55)26-25-53-52(27-29-56(60(53)61)65(57)43-15-3-2-4-16-43)59-49-21-9-7-19-47(49)58(48-20-8-10-22-50(48)59)51-24-23-44(45-17-5-6-18-46(45)51)42-34-40(38-13-11-31-63-36-38)33-41(35-42)39-14-12-32-64-37-39;1-62-55-30-32-57-61-52(55)28-27-51-50(29-31-56(60(51)61)65(57)41-15-3-2-4-16-41)59-47-21-9-7-19-45(47)58(46-20-8-10-22-48(46)59)49-26-25-42(43-17-5-6-18-44(43)49)38-35-39(53-23-11-13-33-63-53)37-40(36-38)54-24-12-14-34-64-54;1-61-51-34-36-53-57-50(51)32-30-48-47(33-35-52(56(48)57)65(53)39-21-9-4-10-22-39)55-44-27-15-13-25-42(44)54(43-26-14-16-28-45(43)55)46-29-31-49(41-24-12-11-23-40(41)46)60-63-58(37-17-5-2-6-18-37)62-59(64-60)38-19-7-3-8-20-38;46-27-28-25-30-21-22-39-38(23-24-40-45(39)42(30)41(26-28)47(40)31-13-2-1-3-14-31)44-36-18-8-6-16-34(36)43(35-17-7-9-19-37(35)44)33-20-10-12-29-11-4-5-15-32(29)33/h2*2-39H;3*2-37H;2-36H;1-26H.

What are the key properties of 4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile?

4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-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 5621.73 g/mol, XLogP of 112.26, 39 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-[10-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]anthracen-9-yl]-9-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]naphthalen-1-yl]anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;9-(10-naphthalen-1-ylanthracen-9-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 157440011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).