N,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine

C265H171N19O5 — CID 158639234

IUPACN,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccc(N(c7ccncc7)c7ccncc7)cc6)c5ccc43)c2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c6oc7c(ccc8c7c7cc(N(c9ccc(-c%10ccccc%10)cc9)c9ccc(-c%10ccccc%10)cc9)ccc7n8-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)cc7)c6ccc54)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccc(N(c6ccncc6)c6ccncc6)cc5)c4ccc32)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccccc6)c5ccc43)cc2)c2ccc3oc4cccnc4c3c2)cc1
InChIInChI=1S/C108H73N5O.C58H37N5O.C53H32N4O2.C46H29N5O/c1-7-21-74(22-8-1)80-35-47-86(48-36-80)109(87-49-37-81(38-50-87)75-23-9-2-10-24-75)92-59-63-94(64-60-92)112-101-34-20-19-33-99(101)105-103(112)71-68-97-98-69-72-104-106(108(98)114-107(97)105)100-73-96(111(90-55-43-84(44-56-90)78-29-15-5-16-30-78)91-57-45-85(46-58-91)79-31-17-6-18-32-79)67-70-102(100)113(104)95-65-61-93(62-66-95)110(88-51-39-82(40-52-88)76-25-11-3-12-26-76)89-53-41-83(42-54-89)77-27-13-4-14-28-77;1-3-11-38(12-4-1)40-35-41(39-13-5-2-6-14-39)37-46(36-40)63-52-18-10-8-16-50(52)56-54(63)26-24-48-47-23-25-53-55(57(47)64-58(48)56)49-15-7-9-17-51(49)62(53)43-21-19-42(20-22-43)61(44-27-31-59-32-28-44)45-29-33-60-34-30-45;1-3-12-33(13-4-1)55(37-25-30-47-42(32-37)51-48(58-47)20-11-31-54-51)35-21-23-36(24-22-35)57-44-19-10-8-17-41(44)50-46(57)29-27-39-38-26-28-45-49(52(38)59-53(39)50)40-16-7-9-18-43(40)56(45)34-14-5-2-6-15-34;1-2-8-30(9-3-1)50-39-12-6-4-10-37(39)43-41(50)20-18-35-36-19-21-42-44(46(36)52-45(35)43)38-11-5-7-13-40(38)51(42)32-16-14-31(15-17-32)49(33-22-26-47-27-23-33)34-24-28-48-29-25-34/h1-73H;1-37H;1-32H;1-29H
InChIKeyIADXCHBOKYXFES-UHFFFAOYSA-N
MW3701.41 g/mol
LogP72.15
Rot. Bonds34

About N,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine

N,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine (PubChem CID 158639234) has the molecular formula C265H171N19O5 and a molecular weight of 3701.41 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine
PubChem CID158639234
Molecular FormulaC265H171N19O5
Molecular Weight3701.41 g/mol
Exact Mass3698.37
IUPAC NameN,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccc(N(c7ccncc7)c7ccncc7)cc6)c5ccc43)c2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c6oc7c(ccc8c7c7cc(N(c9ccc(-c%10ccccc%10)cc9)c9ccc(-c%10ccccc%10)cc9)ccc7n8-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)cc7)c6ccc54)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccc(N(c6ccncc6)c6ccncc6)cc5)c4ccc32)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccccc6)c5ccc43)cc2)c2ccc3oc4cccnc4c3c2)cc1
InChIInChI=1S/C108H73N5O.C58H37N5O.C53H32N4O2.C46H29N5O/c1-7-21-74(22-8-1)80-35-47-86(48-36-80)109(87-49-37-81(38-50-87)75-23-9-2-10-24-75)92-59-63-94(64-60-92)112-101-34-20-19-33-99(101)105-103(112)71-68-97-98-69-72-104-106(108(98)114-107(97)105)100-73-96(111(90-55-43-84(44-56-90)78-29-15-5-16-30-78)91-57-45-85(46-58-91)79-31-17-6-18-32-79)67-70-102(100)113(104)95-65-61-93(62-66-95)110(88-51-39-82(40-52-88)76-25-11-3-12-26-76)89-53-41-83(42-54-89)77-27-13-4-14-28-77;1-3-11-38(12-4-1)40-35-41(39-13-5-2-6-14-39)37-46(36-40)63-52-18-10-8-16-50(52)56-54(63)26-24-48-47-23-25-53-55(57(47)64-58(48)56)49-15-7-9-17-51(49)62(53)43-21-19-42(20-22-43)61(44-27-31-59-32-28-44)45-29-33-60-34-30-45;1-3-12-33(13-4-1)55(37-25-30-47-42(32-37)51-48(58-47)20-11-31-54-51)35-21-23-36(24-22-35)57-44-19-10-8-17-41(44)50-46(57)29-27-39-38-26-28-45-49(52(38)59-53(39)50)40-16-7-9-18-43(40)56(45)34-14-5-2-6-15-34;1-2-8-30(9-3-1)50-39-12-6-4-10-37(39)43-41(50)20-18-35-36-19-21-42-44(46(36)52-45(35)43)38-11-5-7-13-40(38)51(42)32-16-14-31(15-17-32)49(33-22-26-47-27-23-33)34-24-28-48-29-25-34/h1-73H;1-37H;1-32H;1-29H
InChIKeyIADXCHBOKYXFES-UHFFFAOYSA-N
XLogP72.15
TPSA189.03 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003701.41
LogP ≤ 572.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze N,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine with MolForge

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Related Compounds

6-Fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine
CID 144612650
8-[3-[8-(3,6-Difluorocarbazol-9-yl)dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 145703038
8-[3-[8-(1,2,3,4-Tetrafluorocarbazol-9-yl)dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 145703046
8-[3-[8-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-3,4-dihydrodibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 145703057
5-[2-[4-([1]Benzofuro[3,2-c]carbazol-5-yl)pyridin-3-yl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 147166385
5-[3-[4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-pyridinyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 156282702
5-[2-[4-([1]Benzofuro[3,2-c]carbazol-5-yl)pyridin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 156282746
12-[4-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole
CID 157140438
4-[3,5-Bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
CID 157150281
8-[2-[2-[3-Methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]phenyl]-4-[4-[8-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-4-[4-[8-[2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]-4-[4-[8-[2-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 157196051
4-[4-[4-[8-[3,5-Bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[4-[8-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(3,4,5-trifluorophenyl)-4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 158613535
4-[3,5-Bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 158818009

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine (CID 158639234) is N,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccc(N(c7ccncc7)c7ccncc7)cc6)c5ccc43)c2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c6oc7c(ccc8c7c7cc(N(c9ccc(-c%10ccccc%10)cc9)c9ccc(-c%10ccccc%10)cc9)ccc7n8-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)cc7)c6ccc54)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccc(N(c6ccncc6)c6ccncc6)cc5)c4ccc32)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccccc6)c5ccc43)cc2)c2ccc3oc4cccnc4c3c2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine?
The InChIKey is IADXCHBOKYXFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H73N5O.C58H37N5O.C53H32N4O2.C46H29N5O/c1-7-21-74(22-8-1)80-35-47-86(48-36-80)109(87-49-37-81(38-50-87)75-23-9-2-10-24-75)92-59-63-94(64-60-92)112-101-34-20-19-33-99(101)105-103(112)71-68-97-98-69-72-104-106(108(98)114-107(97)105)100-73-96(111(90-55-43-84(44-56-90)78-29-15-5-16-30-78)91-57-45-85(46-58-91)79-31-17-6-18-32-79)67-70-102(100)113(104)95-65-61-93(62-66-95)110(88-51-39-82(40-52-88)76-25-11-3-12-26-76)89-53-41-83(42-54-89)77-27-13-4-14-28-77;1-3-11-38(12-4-1)40-35-41(39-13-5-2-6-14-39)37-46(36-40)63-52-18-10-8-16-50(52)56-54(63)26-24-48-47-23-25-53-55(57(47)64-58(48)56)49-15-7-9-17-51(49)62(53)43-21-19-42(20-22-43)61(44-27-31-59-32-28-44)45-29-33-60-34-30-45;1-3-12-33(13-4-1)55(37-25-30-47-42(32-37)51-48(58-47)20-11-31-54-51)35-21-23-36(24-22-35)57-44-19-10-8-17-41(44)50-46(57)29-27-39-38-26-28-45-49(52(38)59-53(39)50)40-16-7-9-18-43(40)56(45)34-14-5-2-6-15-34;1-2-8-30(9-3-1)50-39-12-6-4-10-37(39)43-41(50)20-18-35-36-19-21-42-44(46(36)52-45(35)43)38-11-5-7-13-40(38)51(42)32-16-14-31(15-17-32)49(33-22-26-47-27-23-33)34-24-28-48-29-25-34/h1-73H;1-37H;1-32H;1-29H.
What are the key properties of N,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine?
N,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine has a molecular weight of 3701.41 g/mol, XLogP of 72.15, 34 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-6,24-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-10-amine;N-[4-[24-(3,5-diphenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-pyridin-4-ylpyridin-4-amine;N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;N-phenyl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-8-amine is sourced from PubChem (CID 158639234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).