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

C324H200N24 — CID 160957084

IUPAC9-[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
SMILESN#Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C#N)cc5)cc4)c4cc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccccc6)c5)c4n3)cc2)cc1.N#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)c3n2)cc1.[C-]#[N+]c1cccc(-c2nc(-c3cccc(C#N)c3)nc3c(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)cc23)c1.[C-]#[N+]c1ccccc1-c1ccc(-c2nc(-c3ccc(-c4ccccc4C#N)cc3)nc3c(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)cc23)cc1.[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2[N+]#[C-])c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4ccccc4)c3)c2n1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc(-c6c7ccccc7nc7ccccc67)cc5)nc(-c5ccc(-c6c7ccccc7nc7ccccc67)cc5)c4c3)c2)cc1
InChIInChI=1S/C70H44N4.2C58H36N4.3C46H28N4/c1-3-17-45(18-4-1)51-21-15-23-53(41-51)55-43-60(54-24-16-22-52(42-54)46-19-5-2-6-20-46)69-61(44-55)68(49-37-33-47(34-38-49)66-56-25-7-11-29-62(56)71-63-30-12-8-26-57(63)66)73-70(74-69)50-39-35-48(36-40-50)67-58-27-9-13-31-64(58)72-65-32-14-10-28-59(65)67;1-60-55-25-11-10-24-52(55)42-26-30-43(31-27-42)56-54-37-50(47-21-12-19-45(34-47)39-14-4-2-5-15-39)36-53(48-22-13-20-46(35-48)40-16-6-3-7-17-40)57(54)62-58(61-56)44-32-28-41(29-33-44)51-23-9-8-18-49(51)38-59;59-37-39-17-21-43(22-18-39)45-25-29-47(30-26-45)56-55-36-53(51-15-7-13-49(33-51)41-9-3-1-4-10-41)35-54(52-16-8-14-50(34-52)42-11-5-2-6-12-42)57(55)62-58(61-56)48-31-27-46(28-32-48)44-23-19-40(38-60)20-24-44;1-47-42-25-11-9-23-38(42)44-41-30-37(35-21-13-19-33(27-35)31-15-5-3-6-16-31)29-40(36-22-14-20-34(28-36)32-17-7-4-8-18-32)45(41)50-46(49-44)39-24-10-12-26-43(39)48-2;1-48-41-23-11-21-38(27-41)44-43-29-40(36-19-9-17-34(25-36)32-13-4-2-5-14-32)28-42(37-20-10-18-35(26-37)33-15-6-3-7-16-33)45(43)50-46(49-44)39-22-8-12-31(24-39)30-47;47-29-31-17-21-35(22-18-31)44-43-28-41(39-15-7-13-37(25-39)33-9-3-1-4-10-33)27-42(40-16-8-14-38(26-40)34-11-5-2-6-12-34)45(43)50-46(49-44)36-23-19-32(30-48)20-24-36/h1-44H;2-37H;1-36H;3-30H;2-29H;1-28H
InChIKeySWNLREIXVIAFQD-UHFFFAOYSA-N
MW4429.33 g/mol
LogP84.63
Rot. Bonds42

About 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

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 (PubChem CID 160957084) has the molecular formula C324H200N24 and a molecular weight of 4429.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID160957084
Molecular FormulaC324H200N24
Molecular Weight4429.33 g/mol
Exact Mass4425.64
IUPAC Name9-[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
SMILESN#Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C#N)cc5)cc4)c4cc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccccc6)c5)c4n3)cc2)cc1.N#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)c3n2)cc1.[C-]#[N+]c1cccc(-c2nc(-c3cccc(C#N)c3)nc3c(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)cc23)c1.[C-]#[N+]c1ccccc1-c1ccc(-c2nc(-c3ccc(-c4ccccc4C#N)cc3)nc3c(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)cc23)cc1.[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2[N+]#[C-])c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4ccccc4)c3)c2n1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc(-c6c7ccccc7nc7ccccc67)cc5)nc(-c5ccc(-c6c7ccccc7nc7ccccc67)cc5)c4c3)c2)cc1
InChIInChI=1S/C70H44N4.2C58H36N4.3C46H28N4/c1-3-17-45(18-4-1)51-21-15-23-53(41-51)55-43-60(54-24-16-22-52(42-54)46-19-5-2-6-20-46)69-61(44-55)68(49-37-33-47(34-38-49)66-56-25-7-11-29-62(56)71-63-30-12-8-26-57(63)66)73-70(74-69)50-39-35-48(36-40-50)67-58-27-9-13-31-64(58)72-65-32-14-10-28-59(65)67;1-60-55-25-11-10-24-52(55)42-26-30-43(31-27-42)56-54-37-50(47-21-12-19-45(34-47)39-14-4-2-5-15-39)36-53(48-22-13-20-46(35-48)40-16-6-3-7-17-40)57(54)62-58(61-56)44-32-28-41(29-33-44)51-23-9-8-18-49(51)38-59;59-37-39-17-21-43(22-18-39)45-25-29-47(30-26-45)56-55-36-53(51-15-7-13-49(33-51)41-9-3-1-4-10-41)35-54(52-16-8-14-50(34-52)42-11-5-2-6-12-42)57(55)62-58(61-56)48-31-27-46(28-32-48)44-23-19-40(38-60)20-24-44;1-47-42-25-11-9-23-38(42)44-41-30-37(35-21-13-19-33(27-35)31-15-5-3-6-16-31)29-40(36-22-14-20-34(28-36)32-17-7-4-8-18-32)45(41)50-46(49-44)39-24-10-12-26-43(39)48-2;1-48-41-23-11-21-38(27-41)44-43-29-40(36-19-9-17-34(25-36)32-13-4-2-5-14-32)28-42(37-20-10-18-35(26-37)33-15-6-3-7-16-33)45(43)50-46(49-44)39-22-8-12-31(24-39)30-47;47-29-31-17-21-35(22-18-31)44-43-28-41(39-15-7-13-37(25-39)33-9-3-1-4-10-33)27-42(40-16-8-14-38(26-40)34-11-5-2-6-12-34)45(43)50-46(49-44)36-23-19-32(30-48)20-24-36/h1-44H;2-37H;1-36H;3-30H;2-29H;1-28H
InChIKeySWNLREIXVIAFQD-UHFFFAOYSA-N
XLogP84.63
TPSA340.64 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds42
Heavy Atoms348
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004429.33
LogP ≤ 584.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

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
3-[4-[4-[4-(3-isocyanophenyl)phenyl]-6,8-diphenylquinazolin-2-yl]phenyl]benzonitrile
CID 123522922
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
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
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
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
bis(2-(2-isocyanophenyl)-4-phenyl-6-[4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine);2-(2-isocyanophenyl)-4-phenyl-6-[4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;3-[4-phenyl-6-[4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile;4-[4-phenyl-6-[4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 158956556
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
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
3-[9-[4-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile
CID 159348703
2-[9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 157378710

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C#N)cc5)cc4)c4cc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccccc6)c5)c4n3)cc2)cc1.N#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)c3n2)cc1.[C-]#[N+]c1cccc(-c2nc(-c3cccc(C#N)c3)nc3c(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)cc23)c1.[C-]#[N+]c1ccccc1-c1ccc(-c2nc(-c3ccc(-c4ccccc4C#N)cc3)nc3c(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)cc23)cc1.[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2[N+]#[C-])c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4ccccc4)c3)c2n1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc(-c6c7ccccc7nc7ccccc67)cc5)nc(-c5ccc(-c6c7ccccc7nc7ccccc67)cc5)c4c3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is SWNLREIXVIAFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N4.2C58H36N4.3C46H28N4/c1-3-17-45(18-4-1)51-21-15-23-53(41-51)55-43-60(54-24-16-22-52(42-54)46-19-5-2-6-20-46)69-61(44-55)68(49-37-33-47(34-38-49)66-56-25-7-11-29-62(56)71-63-30-12-8-26-57(63)66)73-70(74-69)50-39-35-48(36-40-50)67-58-27-9-13-31-64(58)72-65-32-14-10-28-59(65)67;1-60-55-25-11-10-24-52(55)42-26-30-43(31-27-42)56-54-37-50(47-21-12-19-45(34-47)39-14-4-2-5-15-39)36-53(48-22-13-20-46(35-48)40-16-6-3-7-17-40)57(54)62-58(61-56)44-32-28-41(29-33-44)51-23-9-8-18-49(51)38-59;59-37-39-17-21-43(22-18-39)45-25-29-47(30-26-45)56-55-36-53(51-15-7-13-49(33-51)41-9-3-1-4-10-41)35-54(52-16-8-14-50(34-52)42-11-5-2-6-12-42)57(55)62-58(61-56)48-31-27-46(28-32-48)44-23-19-40(38-60)20-24-44;1-47-42-25-11-9-23-38(42)44-41-30-37(35-21-13-19-33(27-35)31-15-5-3-6-16-31)29-40(36-22-14-20-34(28-36)32-17-7-4-8-18-32)45(41)50-46(49-44)39-24-10-12-26-43(39)48-2;1-48-41-23-11-21-38(27-41)44-43-29-40(36-19-9-17-34(25-36)32-13-4-2-5-14-32)28-42(37-20-10-18-35(26-37)33-15-6-3-7-16-33)45(43)50-46(49-44)39-22-8-12-31(24-39)30-47;47-29-31-17-21-35(22-18-31)44-43-28-41(39-15-7-13-37(25-39)33-9-3-1-4-10-33)27-42(40-16-8-14-38(26-40)34-11-5-2-6-12-34)45(43)50-46(49-44)36-23-19-32(30-48)20-24-36/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-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?
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 has a molecular weight of 4429.33 g/mol, XLogP of 84.63, 42 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-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 is sourced from PubChem (CID 160957084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).