1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole

C244H161N13OS — CID 159764457

IUPAC1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)nc3ccccc23)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(C6Oc7ccccc7N6c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(C6Sc7ccccc7N6c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)c43)c3ccccc32)cc1
InChIInChI=1S/C50H33N3.C50H34N2O.C50H34N2S.C49H31N3.C45H29N3/c1-3-16-36(17-4-1)52-45-27-12-9-24-42(45)50(43-25-10-13-28-46(43)52)41-23-8-7-20-39(41)40-22-15-21-38(48(40)50)34-30-32-35(33-31-34)49-51-44-26-11-14-29-47(44)53(49)37-18-5-2-6-19-37;2*1-3-16-36(17-4-1)51-44-26-11-9-24-42(44)50(43-25-10-12-27-45(43)51)41-23-8-7-20-39(41)40-22-15-21-38(48(40)50)34-30-32-35(33-31-34)49-52(37-18-5-2-6-19-37)46-28-13-14-29-47(46)53-49;1-2-17-35(18-3-1)52-44-27-12-9-24-41(44)49(42-25-10-13-28-45(42)52)40-23-8-6-19-36(40)37-21-14-22-39(46(37)49)48-50-43-26-11-7-20-38(43)47(51-48)34-30-29-32-15-4-5-16-33(32)31-34;1-3-16-30(17-4-1)43-34-21-8-12-27-39(34)46-44(47-43)35-23-15-22-33-32-20-7-9-24-36(32)45(42(33)35)37-25-10-13-28-40(37)48(31-18-5-2-6-19-31)41-29-14-11-26-38(41)45/h1-33H;2*1-33,49H;1-31H;1-29H
InChIKeyNFHXVWDZZCLHQW-UHFFFAOYSA-N
MW3323.13 g/mol
LogP62.05
Rot. Bonds18

About 1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole

1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole (PubChem CID 159764457) has the molecular formula C244H161N13OS and a molecular weight of 3323.13 g/mol. Its IUPAC name is 1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole.

Molecular Properties

Compound Name1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole
PubChem CID159764457
Molecular FormulaC244H161N13OS
Molecular Weight3323.13 g/mol
Exact Mass3320.27
IUPAC Name1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)nc3ccccc23)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(C6Oc7ccccc7N6c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(C6Sc7ccccc7N6c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)c43)c3ccccc32)cc1
InChIInChI=1S/C50H33N3.C50H34N2O.C50H34N2S.C49H31N3.C45H29N3/c1-3-16-36(17-4-1)52-45-27-12-9-24-42(45)50(43-25-10-13-28-46(43)52)41-23-8-7-20-39(41)40-22-15-21-38(48(40)50)34-30-32-35(33-31-34)49-51-44-26-11-14-29-47(44)53(49)37-18-5-2-6-19-37;2*1-3-16-36(17-4-1)51-44-26-11-9-24-42(44)50(43-25-10-12-27-45(43)51)41-23-8-7-20-39(41)40-22-15-21-38(48(40)50)34-30-32-35(33-31-34)49-52(37-18-5-2-6-19-37)46-28-13-14-29-47(46)53-49;1-2-17-35(18-3-1)52-44-27-12-9-24-41(44)49(42-25-10-13-28-45(42)52)40-23-8-6-19-36(40)37-21-14-22-39(46(37)49)48-50-43-26-11-7-20-38(43)47(51-48)34-30-29-32-15-4-5-16-33(32)31-34;1-3-16-30(17-4-1)43-34-21-8-12-27-39(34)46-44(47-43)35-23-15-22-33-32-20-7-9-24-36(32)45(42(33)35)37-25-10-13-28-40(37)48(31-18-5-2-6-19-31)41-29-14-11-26-38(41)45/h1-33H;2*1-33,49H;1-31H;1-29H
InChIKeyNFHXVWDZZCLHQW-UHFFFAOYSA-N
XLogP62.05
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003323.13
LogP ≤ 562.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole with MolForge

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Related Compounds

benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157072930
9,19-Diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,12,14(18),15-nonaene;4-(2,6-dimethylphenyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;12-oxa-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13-oxa-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene
CID 157096613
5-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene]
CID 157306679
7,7-Dimethyl-5-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]indeno[2,1-b]carbazole;2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;15-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 157486827
9-(4,6-Diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene];5-phenylspiro[indeno[1,2-b]carbazole-11,9'-thioxanthene]
CID 157637379
2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-[7-(2,6-diphenyl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-[7-(4,6-dipyridin-2-ylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-dipyridin-2-ylpyrimidine;2-[7-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]-1,10-phenanthroline;N-(2-phenylphenyl)-N-(4-phenylphenyl)-7-pyrimidin-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 157835483
10-[9-[2-[3,5-Bis[5-(3-phenothiazin-10-ylcarbazol-9-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[2-[3,5-bis[5-(3-phenoxazin-10-ylcarbazol-9-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]phenoxazine;10-[9-[2-[3,5-bis[5-(3-spiro[acridine-9,9'-fluorene]-10-ylcarbazol-9-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 157919655
4-(3-Phenoxathiin-2-ylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)quinazoline;11-[1-(4-phenylphenyl)-3-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)isoquinolin-6-yl]benzo[a]carbazole;10-[3-[4-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)quinazolin-2-yl]phenyl]phenothiazine;7-[3-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)quinazolin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 158195204
1'-(4-diphenylphosphorylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];3-phenyl-2-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-1'-ylphenyl)-2H-1,3-benzoxazole;4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-1'-ylbenzonitrile
CID 158248248
5-Methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine
CID 158530522
2-[5-(4,6-Diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenylquinazoline;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoxaline
CID 158571307
9-[19'-(4,6-Diphenylpyrimidin-2-yl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene]-5'-yl]carbazole;2-phenyl-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-yl-1,10-phenanthroline;2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-yl-1,10-phenanthroline;2-(3-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene]-5'-ylphenyl)-1,10-phenanthroline;10-(3-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene]-5'-ylphenyl)phenoxazine
CID 158716986

Frequently Asked Questions

What is the IUPAC name of 1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole?
The IUPAC name of 1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole (CID 159764457) is 1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole.
What is the SMILES notation for 1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole?
The canonical SMILES for 1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole is c1ccc(-c2nc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)nc3ccccc23)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(C6Oc7ccccc7N6c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(C6Sc7ccccc7N6c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)c43)c3ccccc32)cc1.
What is the InChIKey of 1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole?
The InChIKey is NFHXVWDZZCLHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3.C50H34N2O.C50H34N2S.C49H31N3.C45H29N3/c1-3-16-36(17-4-1)52-45-27-12-9-24-42(45)50(43-25-10-13-28-46(43)52)41-23-8-7-20-39(41)40-22-15-21-38(48(40)50)34-30-32-35(33-31-34)49-51-44-26-11-14-29-47(44)53(49)37-18-5-2-6-19-37;2*1-3-16-36(17-4-1)51-44-26-11-9-24-42(44)50(43-25-10-12-27-45(43)51)41-23-8-7-20-39(41)40-22-15-21-38(48(40)50)34-30-32-35(33-31-34)49-52(37-18-5-2-6-19-37)46-28-13-14-29-47(46)53-49;1-2-17-35(18-3-1)52-44-27-12-9-24-41(44)49(42-25-10-13-28-45(42)52)40-23-8-6-19-36(40)37-21-14-22-39(46(37)49)48-50-43-26-11-7-20-38(43)47(51-48)34-30-29-32-15-4-5-16-33(32)31-34;1-3-16-30(17-4-1)43-34-21-8-12-27-39(34)46-44(47-43)35-23-15-22-33-32-20-7-9-24-36(32)45(42(33)35)37-25-10-13-28-40(37)48(31-18-5-2-6-19-31)41-29-14-11-26-38(41)45/h1-33H;2*1-33,49H;1-31H;1-29H.
What are the key properties of 1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole?
1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole has a molecular weight of 3323.13 g/mol, XLogP of 62.05, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-naphthalen-2-ylquinazolin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-1'-(4-phenylquinazolin-2-yl)spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole is sourced from PubChem (CID 159764457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).