9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile

C372H200N24 — CID 159861006

IUPAC9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C#N)cc5)cc4)c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4n3)cc2)cc1.N#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3n2)cc1.[C-]#[N+]c1cccc(-c2nc(-c3cccc(C#N)c3)nc3c(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc23)c1.[C-]#[N+]c1ccccc1-c1ccc(-c2nc(-c3ccc(-c4ccccc4C#N)cc3)nc3c(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc23)cc1.[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2[N+]#[C-])c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2n1.c1ccc2c(c1)-c1cccc3c(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5nc(-c6ccc(-c7c8ccccc8nc8ccccc78)cc6)nc(-c6ccc(-c7c8ccccc8nc8ccccc78)cc6)c5c4)ccc-2c13
InChIInChI=1S/C78H44N4.2C66H36N4.3C54H28N4/c1-3-17-53-51(15-1)57-24-13-23-56-50(39-41-60(53)74(56)57)49-43-66(55-40-42-61-54-18-4-2-16-52(54)58-25-14-26-59(55)75(58)61)77-67(44-49)76(47-35-31-45(32-36-47)72-62-19-5-9-27-68(62)79-69-28-10-6-20-63(69)72)81-78(82-77)48-37-33-46(34-38-48)73-64-21-7-11-29-70(64)80-71-30-12-8-22-65(71)73;1-68-61-23-9-8-14-47(61)40-24-28-41(29-25-40)64-60-37-44(46-32-34-57-50-17-6-4-15-48(50)54-20-10-19-53(46)62(54)57)36-59(52-33-35-58-51-18-7-5-16-49(51)55-21-11-22-56(52)63(55)58)65(60)70-66(69-64)42-30-26-39(27-31-42)45-13-3-2-12-43(45)38-67;67-37-39-15-19-41(20-16-39)43-23-27-45(28-24-43)64-61-36-47(48-31-33-58-51-9-3-1-7-49(51)55-12-5-11-54(48)62(55)58)35-60(53-32-34-59-52-10-4-2-8-50(52)56-13-6-14-57(53)63(56)59)65(61)70-66(69-64)46-29-25-44(26-30-46)42-21-17-40(38-68)18-22-42;1-55-48-23-9-7-17-44(48)52-47-30-31(32-25-27-42-35-15-5-3-13-33(35)39-20-11-19-38(32)50(39)42)29-46(53(47)58-54(57-52)45-18-8-10-24-49(45)56-2)37-26-28-43-36-16-6-4-14-34(36)40-21-12-22-41(37)51(40)43;1-56-35-13-7-11-32(27-35)52-49-29-34(36-22-24-46-39-16-4-2-14-37(39)43-19-8-18-42(36)50(43)46)28-48(53(49)58-54(57-52)33-12-6-10-31(26-33)30-55)41-23-25-47-40-17-5-3-15-38(40)44-20-9-21-45(41)51(44)47;55-29-31-15-19-33(20-16-31)52-49-28-35(36-23-25-46-39-9-3-1-7-37(39)43-12-5-11-42(36)50(43)46)27-48(53(49)58-54(57-52)34-21-17-32(30-56)18-22-34)41-24-26-47-40-10-4-2-8-38(40)44-13-6-14-45(41)51(44)47/h1-44H;2-37H;1-36H;3-30H;2-29H;1-28H
InChIKeyNRDKQKRUXAZEMO-UHFFFAOYSA-N
MW5005.86 g/mol
LogP98.23
Rot. Bonds30

About 9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile

9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile (PubChem CID 159861006) has the molecular formula C372H200N24 and a molecular weight of 5005.86 g/mol. Its IUPAC name is 9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile.

Molecular Properties

Compound Name9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile
PubChem CID159861006
Molecular FormulaC372H200N24
Molecular Weight5005.86 g/mol
Exact Mass5001.64
IUPAC Name9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C#N)cc5)cc4)c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4n3)cc2)cc1.N#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3n2)cc1.[C-]#[N+]c1cccc(-c2nc(-c3cccc(C#N)c3)nc3c(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc23)c1.[C-]#[N+]c1ccccc1-c1ccc(-c2nc(-c3ccc(-c4ccccc4C#N)cc3)nc3c(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc23)cc1.[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2[N+]#[C-])c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2n1.c1ccc2c(c1)-c1cccc3c(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5nc(-c6ccc(-c7c8ccccc8nc8ccccc78)cc6)nc(-c6ccc(-c7c8ccccc8nc8ccccc78)cc6)c5c4)ccc-2c13
InChIInChI=1S/C78H44N4.2C66H36N4.3C54H28N4/c1-3-17-53-51(15-1)57-24-13-23-56-50(39-41-60(53)74(56)57)49-43-66(55-40-42-61-54-18-4-2-16-52(54)58-25-14-26-59(55)75(58)61)77-67(44-49)76(47-35-31-45(32-36-47)72-62-19-5-9-27-68(62)79-69-28-10-6-20-63(69)72)81-78(82-77)48-37-33-46(34-38-48)73-64-21-7-11-29-70(64)80-71-30-12-8-22-65(71)73;1-68-61-23-9-8-14-47(61)40-24-28-41(29-25-40)64-60-37-44(46-32-34-57-50-17-6-4-15-48(50)54-20-10-19-53(46)62(54)57)36-59(52-33-35-58-51-18-7-5-16-49(51)55-21-11-22-56(52)63(55)58)65(60)70-66(69-64)42-30-26-39(27-31-42)45-13-3-2-12-43(45)38-67;67-37-39-15-19-41(20-16-39)43-23-27-45(28-24-43)64-61-36-47(48-31-33-58-51-9-3-1-7-49(51)55-12-5-11-54(48)62(55)58)35-60(53-32-34-59-52-10-4-2-8-50(52)56-13-6-14-57(53)63(56)59)65(61)70-66(69-64)46-29-25-44(26-30-46)42-21-17-40(38-68)18-22-42;1-55-48-23-9-7-17-44(48)52-47-30-31(32-25-27-42-35-15-5-3-13-33(35)39-20-11-19-38(32)50(39)42)29-46(53(47)58-54(57-52)45-18-8-10-24-49(45)56-2)37-26-28-43-36-16-6-4-14-34(36)40-21-12-22-41(37)51(40)43;1-56-35-13-7-11-32(27-35)52-49-29-34(36-22-24-46-39-16-4-2-14-37(39)43-19-8-18-42(36)50(43)46)28-48(53(49)58-54(57-52)33-12-6-10-31(26-33)30-55)41-23-25-47-40-17-5-3-15-38(40)44-20-9-21-45(41)51(44)47;55-29-31-15-19-33(20-16-31)52-49-28-35(36-23-25-46-39-9-3-1-7-37(39)43-12-5-11-42(36)50(43)46)27-48(53(49)58-54(57-52)34-21-17-32(30-56)18-22-34)41-24-26-47-40-10-4-2-8-38(40)44-13-6-14-45(41)51(44)47/h1-44H;2-37H;1-36H;3-30H;2-29H;1-28H
InChIKeyNRDKQKRUXAZEMO-UHFFFAOYSA-N
XLogP98.23
TPSA340.64 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms396
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005005.86
LogP ≤ 598.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile with MolForge

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Related Compounds

9-[4-[2-(4-acridin-9-ylphenyl)-6,8-bis(3-phenylphenyl)quinazolin-4-yl]phenyl]acridine;2,4-bis(2-isocyanophenyl)-6,8-bis(3-phenylphenyl)quinazoline;4-[2-(4-cyanophenyl)-6,8-bis(3-phenylphenyl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-bis(3-phenylphenyl)quinazolin-4-yl]phenyl]benzonitrile;3-[4-(3-isocyanophenyl)-6,8-bis(3-phenylphenyl)quinazolin-2-yl]benzonitrile;2-[4-[4-[4-(2-isocyanophenyl)phenyl]-6,8-bis(3-phenylphenyl)quinazolin-2-yl]phenyl]benzonitrile
CID 160957084
3-[4-[4-[4-(3-isocyanophenyl)phenyl]-6,8-diphenylquinazolin-2-yl]phenyl]benzonitrile
CID 123522922
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;2-[4-[5-(2-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162237222
2-[4-[8-[4-[3-[4-[4-(3-cyanophenyl)phenyl]-5-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile
CID 138750131
3-[9-[2-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-[2-[3-(2-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzonitrile;4-[9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 159553292
2,4-diphenyl-6-[4-(4-pyrimidin-2-ylphenyl)naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile;bis(4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile);4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile;2-[4-[4-(2-isocyanophenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 160525789
2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile
CID 159263479
2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;5-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzene-1,3-dicarbonitrile;3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;2-[4-[4-(2-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163683097
2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 160659653
2-[4-[4-[5-(3-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(3,6-diphenylcarbazol-9-yl)-5-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035532
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
CID 175620932
9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]acridine;2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;4-[2-(4-cyanophenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]benzonitrile
CID 159272483

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile?
The IUPAC name of 9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile (CID 159861006) is 9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile.
What is the SMILES notation for 9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile?
The canonical SMILES for 9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile is N#Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C#N)cc5)cc4)c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4n3)cc2)cc1.N#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3n2)cc1.[C-]#[N+]c1cccc(-c2nc(-c3cccc(C#N)c3)nc3c(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc23)c1.[C-]#[N+]c1ccccc1-c1ccc(-c2nc(-c3ccc(-c4ccccc4C#N)cc3)nc3c(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc23)cc1.[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2[N+]#[C-])c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2n1.c1ccc2c(c1)-c1cccc3c(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5nc(-c6ccc(-c7c8ccccc8nc8ccccc78)cc6)nc(-c6ccc(-c7c8ccccc8nc8ccccc78)cc6)c5c4)ccc-2c13.
What is the InChIKey of 9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile?
The InChIKey is NRDKQKRUXAZEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H44N4.2C66H36N4.3C54H28N4/c1-3-17-53-51(15-1)57-24-13-23-56-50(39-41-60(53)74(56)57)49-43-66(55-40-42-61-54-18-4-2-16-52(54)58-25-14-26-59(55)75(58)61)77-67(44-49)76(47-35-31-45(32-36-47)72-62-19-5-9-27-68(62)79-69-28-10-6-20-63(69)72)81-78(82-77)48-37-33-46(34-38-48)73-64-21-7-11-29-70(64)80-71-30-12-8-22-65(71)73;1-68-61-23-9-8-14-47(61)40-24-28-41(29-25-40)64-60-37-44(46-32-34-57-50-17-6-4-15-48(50)54-20-10-19-53(46)62(54)57)36-59(52-33-35-58-51-18-7-5-16-49(51)55-21-11-22-56(52)63(55)58)65(60)70-66(69-64)42-30-26-39(27-31-42)45-13-3-2-12-43(45)38-67;67-37-39-15-19-41(20-16-39)43-23-27-45(28-24-43)64-61-36-47(48-31-33-58-51-9-3-1-7-49(51)55-12-5-11-54(48)62(55)58)35-60(53-32-34-59-52-10-4-2-8-50(52)56-13-6-14-57(53)63(56)59)65(61)70-66(69-64)46-29-25-44(26-30-46)42-21-17-40(38-68)18-22-42;1-55-48-23-9-7-17-44(48)52-47-30-31(32-25-27-42-35-15-5-3-13-33(35)39-20-11-19-38(32)50(39)42)29-46(53(47)58-54(57-52)45-18-8-10-24-49(45)56-2)37-26-28-43-36-16-6-4-14-34(36)40-21-12-22-41(37)51(40)43;1-56-35-13-7-11-32(27-35)52-49-29-34(36-22-24-46-39-16-4-2-14-37(39)43-19-8-18-42(36)50(43)46)28-48(53(49)58-54(57-52)33-12-6-10-31(26-33)30-55)41-23-25-47-40-17-5-3-15-38(40)44-20-9-21-45(41)51(44)47;55-29-31-15-19-33(20-16-31)52-49-28-35(36-23-25-46-39-9-3-1-7-37(39)43-12-5-11-42(36)50(43)46)27-48(53(49)58-54(57-52)34-21-17-32(30-56)18-22-34)41-24-26-47-40-10-4-2-8-38(40)44-13-6-14-45(41)51(44)47/h1-44H;2-37H;1-36H;3-30H;2-29H;1-28H.
What are the key properties of 9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile?
9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile has a molecular weight of 5005.86 g/mol, XLogP of 98.23, 30 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]acridine;4-[2-(4-cyanophenyl)-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(fluoranthen-3-yl)quinazolin-4-yl]phenyl]benzonitrile;6,8-di(fluoranthen-3-yl)-2,4-bis(2-isocyanophenyl)quinazoline;2-[4-[6,8-di(fluoranthen-3-yl)-4-[4-(2-isocyanophenyl)phenyl]quinazolin-2-yl]phenyl]benzonitrile;3-[6,8-di(fluoranthen-3-yl)-4-(3-isocyanophenyl)quinazolin-2-yl]benzonitrile is sourced from PubChem (CID 159861006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).