12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine

C335H202N24O8 — CID 158240582

IUPAC12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5ccc6c7ccccc7oc6c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5ccc6c7ccccc7oc6c45)cc3)n2)cc1.c1ccc(-c2cc3c4ccccc4nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7ccc8c9ccccc9oc8c67)cc5)cc4)n3n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6ccc7c8ccccc8oc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6ccc7c8ccccc8oc7c56)cc4)nc4ccccc34)cc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-c4nc5ccccc5c5ccc6c7ccccc7oc6c45)cc3)cc2)cc1.c1ccc2c(c1)nc(-c1ccc(-c3ccc4c5ccccc5nn4c3)cc1)c1c2ccc2c3ccccc3oc21.c1ccc2nc(-c3ccc(-c4nc5ccccc5c5ccc6c7ccccc7oc6c45)cc3)ccc2c1
InChIInChI=1S/C47H28N4O.C47H29N3O.C45H27N3O.C44H27N3O.2C41H25N3O.C36H21N3O.C34H20N2O/c1-2-10-31(11-3-1)41-28-42-38-14-5-8-16-40(38)49-47(51(42)50-41)33-24-20-30(21-25-33)29-18-22-32(23-19-29)45-44-36(34-12-4-7-15-39(34)48-45)26-27-37-35-13-6-9-17-43(35)52-46(37)44;1-3-11-30(12-4-1)31-19-21-32(22-20-31)41-29-42(50-47(49-41)35-13-5-2-6-14-35)33-23-25-34(26-24-33)45-44-38(36-15-7-9-17-40(36)48-45)27-28-39-37-16-8-10-18-43(37)51-46(39)44;1-2-10-28(11-3-1)29-18-20-30(21-19-29)42-37-14-5-8-16-39(37)47-45(48-42)32-24-22-31(23-25-32)43-41-35(33-12-4-7-15-38(33)46-43)26-27-36-34-13-6-9-17-40(34)49-44(36)41;1-2-10-31(11-3-1)44-46-38-15-7-8-16-39(38)47(44)32-24-22-29(23-25-32)28-18-20-30(21-19-28)42-41-35(33-12-4-6-14-37(33)45-42)26-27-36-34-13-5-9-17-40(34)48-43(36)41;1-3-11-26(12-4-1)35-25-36(44-41(43-35)29-13-5-2-6-14-29)27-19-21-28(22-20-27)39-38-32(30-15-7-9-17-34(30)42-39)23-24-33-31-16-8-10-18-37(31)45-40(33)38;1-3-11-26(12-4-1)35-25-36(27-13-5-2-6-14-27)44-41(43-35)29-21-19-28(20-22-29)39-38-32(30-15-7-9-17-34(30)42-39)23-24-33-31-16-8-10-18-37(31)45-40(33)38;1-4-10-30-25(7-1)27-18-19-28-26-8-3-6-12-33(26)40-36(28)34(27)35(37-30)23-15-13-22(14-16-23)24-17-20-32-29-9-2-5-11-31(29)38-39(32)21-24;1-4-10-28-21(7-1)17-20-29(35-28)22-13-15-23(16-14-22)33-32-26(24-8-2-5-11-30(24)36-33)18-19-27-25-9-3-6-12-31(25)37-34(27)32/h1-28H;1-29H;1-27H;1-27H;2*1-25H;1-21H;1-20H
InChIKeyGFMJPYBVAJFSKW-UHFFFAOYSA-N
MW4691.46 g/mol
LogP88.17
Rot. Bonds29

About 12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine

12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine (PubChem CID 158240582) has the molecular formula C335H202N24O8 and a molecular weight of 4691.46 g/mol. Its IUPAC name is 12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine.

Molecular Properties

Compound Name12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine
PubChem CID158240582
Molecular FormulaC335H202N24O8
Molecular Weight4691.46 g/mol
Exact Mass4687.61
IUPAC Name12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5ccc6c7ccccc7oc6c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5ccc6c7ccccc7oc6c45)cc3)n2)cc1.c1ccc(-c2cc3c4ccccc4nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7ccc8c9ccccc9oc8c67)cc5)cc4)n3n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6ccc7c8ccccc8oc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6ccc7c8ccccc8oc7c56)cc4)nc4ccccc34)cc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-c4nc5ccccc5c5ccc6c7ccccc7oc6c45)cc3)cc2)cc1.c1ccc2c(c1)nc(-c1ccc(-c3ccc4c5ccccc5nn4c3)cc1)c1c2ccc2c3ccccc3oc21.c1ccc2nc(-c3ccc(-c4nc5ccccc5c5ccc6c7ccccc7oc6c45)cc3)ccc2c1
InChIInChI=1S/C47H28N4O.C47H29N3O.C45H27N3O.C44H27N3O.2C41H25N3O.C36H21N3O.C34H20N2O/c1-2-10-31(11-3-1)41-28-42-38-14-5-8-16-40(38)49-47(51(42)50-41)33-24-20-30(21-25-33)29-18-22-32(23-19-29)45-44-36(34-12-4-7-15-39(34)48-45)26-27-37-35-13-6-9-17-43(35)52-46(37)44;1-3-11-30(12-4-1)31-19-21-32(22-20-31)41-29-42(50-47(49-41)35-13-5-2-6-14-35)33-23-25-34(26-24-33)45-44-38(36-15-7-9-17-40(36)48-45)27-28-39-37-16-8-10-18-43(37)51-46(39)44;1-2-10-28(11-3-1)29-18-20-30(21-19-29)42-37-14-5-8-16-39(37)47-45(48-42)32-24-22-31(23-25-32)43-41-35(33-12-4-7-15-38(33)46-43)26-27-36-34-13-6-9-17-40(34)49-44(36)41;1-2-10-31(11-3-1)44-46-38-15-7-8-16-39(38)47(44)32-24-22-29(23-25-32)28-18-20-30(21-19-28)42-41-35(33-12-4-6-14-37(33)45-42)26-27-36-34-13-5-9-17-40(34)48-43(36)41;1-3-11-26(12-4-1)35-25-36(44-41(43-35)29-13-5-2-6-14-29)27-19-21-28(22-20-27)39-38-32(30-15-7-9-17-34(30)42-39)23-24-33-31-16-8-10-18-37(31)45-40(33)38;1-3-11-26(12-4-1)35-25-36(27-13-5-2-6-14-27)44-41(43-35)29-21-19-28(20-22-29)39-38-32(30-15-7-9-17-34(30)42-39)23-24-33-31-16-8-10-18-37(31)45-40(33)38;1-4-10-30-25(7-1)27-18-19-28-26-8-3-6-12-33(26)40-36(28)34(27)35(37-30)23-15-13-22(14-16-23)24-17-20-32-29-9-2-5-11-31(29)38-39(32)21-24;1-4-10-28-21(7-1)17-20-29(35-28)22-13-15-23(16-14-22)33-32-26(24-8-2-5-11-30(24)36-33)18-19-27-25-9-3-6-12-31(25)37-34(27)32/h1-28H;1-29H;1-27H;1-27H;2*1-25H;1-21H;1-20H
InChIKeyGFMJPYBVAJFSKW-UHFFFAOYSA-N
XLogP88.17
TPSA389.56 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds29
Heavy Atoms367
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004691.46
LogP ≤ 588.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine with MolForge

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Related Compounds

8-Butyl-14-[7,7-diethyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-ylidene]-3-oxa-17,20-diaza-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123197392
8-Butyl-14-[2-[7,8-diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-3-oxa-17,20-diaza-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123438396
14-[[9-Methyl-1-[1-[2-[2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]ethyl]quinolin-1-ium-2-yl]carbazol-2-yl]methyl]-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123762706
14-[[4-[1-[2-[2-[2-Methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]ethyl]quinolin-1-ium-2-yl]dibenzofuran-3-yl]methyl]-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123895865
22-Methyl-14-[[9-methyl-1-[1-[2-[2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]ethyl]quinolin-1-ium-2-yl]carbazol-2-yl]methyl]-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123931074
22,22'-Dimethyl-17-[4-(trifluoromethyl)-5-aza-6,8-diazoniatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaen-5-yl]spiro[3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene-14,14'-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene]
CID 145671448
8-Butyl-8',8'-diethyl-4'-(trifluoromethyl)spiro[3-oxa-17,22-diaza-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene-14,7'-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene]
CID 145671466
22'-Methyl-12-[[2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]methyl]spiro[24-oxa-11-azoniahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene-13,14'-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene]
CID 145671525
1-(4-tert-butylphenyl)-2-(8-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(2,6-dimethyl-4-pyridinyl)-2-(7-fluoro-1-methyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;octakis(iridium);1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-naphthalen-2-yl-2-(1,6,8-trifluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;octakis(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 158079780
bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 158215701
CID 158344229
CID 158344229
2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide);bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158438915

Frequently Asked Questions

What is the IUPAC name of 12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine?
The IUPAC name of 12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine (CID 158240582) is 12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine.
What is the SMILES notation for 12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine?
The canonical SMILES for 12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine is c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5ccc6c7ccccc7oc6c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5ccc6c7ccccc7oc6c45)cc3)n2)cc1.c1ccc(-c2cc3c4ccccc4nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7ccc8c9ccccc9oc8c67)cc5)cc4)n3n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6ccc7c8ccccc8oc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6ccc7c8ccccc8oc7c56)cc4)nc4ccccc34)cc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-c4nc5ccccc5c5ccc6c7ccccc7oc6c45)cc3)cc2)cc1.c1ccc2c(c1)nc(-c1ccc(-c3ccc4c5ccccc5nn4c3)cc1)c1c2ccc2c3ccccc3oc21.c1ccc2nc(-c3ccc(-c4nc5ccccc5c5ccc6c7ccccc7oc6c45)cc3)ccc2c1.
What is the InChIKey of 12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine?
The InChIKey is GFMJPYBVAJFSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O.C47H29N3O.C45H27N3O.C44H27N3O.2C41H25N3O.C36H21N3O.C34H20N2O/c1-2-10-31(11-3-1)41-28-42-38-14-5-8-16-40(38)49-47(51(42)50-41)33-24-20-30(21-25-33)29-18-22-32(23-19-29)45-44-36(34-12-4-7-15-39(34)48-45)26-27-37-35-13-6-9-17-43(35)52-46(37)44;1-3-11-30(12-4-1)31-19-21-32(22-20-31)41-29-42(50-47(49-41)35-13-5-2-6-14-35)33-23-25-34(26-24-33)45-44-38(36-15-7-9-17-40(36)48-45)27-28-39-37-16-8-10-18-43(37)51-46(39)44;1-2-10-28(11-3-1)29-18-20-30(21-19-29)42-37-14-5-8-16-39(37)47-45(48-42)32-24-22-31(23-25-32)43-41-35(33-12-4-7-15-38(33)46-43)26-27-36-34-13-6-9-17-40(34)49-44(36)41;1-2-10-31(11-3-1)44-46-38-15-7-8-16-39(38)47(44)32-24-22-29(23-25-32)28-18-20-30(21-19-28)42-41-35(33-12-4-6-14-37(33)45-42)26-27-36-34-13-5-9-17-40(34)48-43(36)41;1-3-11-26(12-4-1)35-25-36(44-41(43-35)29-13-5-2-6-14-29)27-19-21-28(22-20-27)39-38-32(30-15-7-9-17-34(30)42-39)23-24-33-31-16-8-10-18-37(31)45-40(33)38;1-3-11-26(12-4-1)35-25-36(27-13-5-2-6-14-27)44-41(43-35)29-21-19-28(20-22-29)39-38-32(30-15-7-9-17-34(30)42-39)23-24-33-31-16-8-10-18-37(31)45-40(33)38;1-4-10-30-25(7-1)27-18-19-28-26-8-3-6-12-33(26)40-36(28)34(27)35(37-30)23-15-13-22(14-16-23)24-17-20-32-29-9-2-5-11-31(29)38-39(32)21-24;1-4-10-28-21(7-1)17-20-29(35-28)22-13-15-23(16-14-22)33-32-26(24-8-2-5-11-30(24)36-33)18-19-27-25-9-3-6-12-31(25)37-34(27)32/h1-28H;1-29H;1-27H;1-27H;2*1-25H;1-21H;1-20H.
What are the key properties of 12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine?
12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine has a molecular weight of 4691.46 g/mol, XLogP of 88.17, 29 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine is sourced from PubChem (CID 158240582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).