7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole

C252H146N8O12 — CID 159712006

IUPAC7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(ccc7oc8c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cccc8c76)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(ccc7oc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c76)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cccc8c7cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c7cc6c5c4)ccc32)cc1.c1ccc2c(c1)oc1c2ccc2c3cc(-c4ccc5oc6c(ccc7c8ccccc8oc76)c5c4)ccc3oc21
InChIInChI=1S/4C54H32N2O2.C36H18O4/c1-3-12-36(13-4-1)55-46-20-9-7-16-39(46)43-30-33(22-26-48(43)55)34-24-28-50-45(31-34)41-25-29-51-52(54(41)57-50)42-19-11-18-38(53(42)58-51)35-23-27-49-44(32-35)40-17-8-10-21-47(40)56(49)37-14-5-2-6-15-37;1-3-12-36(13-4-1)55-47-20-9-7-16-39(47)42-28-33(22-25-49(42)55)34-24-27-51-44(29-34)46-31-45-41-19-11-18-38(54(41)58-53(45)32-52(46)57-51)35-23-26-50-43(30-35)40-17-8-10-21-48(40)56(50)37-14-5-2-6-15-37;1-3-11-37(12-4-1)55-46-17-9-7-15-39(46)42-29-33(19-24-48(42)55)35-21-26-50-44(31-35)41-23-28-52-53(54(41)58-50)45-32-36(22-27-51(45)57-52)34-20-25-49-43(30-34)40-16-8-10-18-47(40)56(49)38-13-5-2-6-14-38;1-3-11-37(12-4-1)55-47-17-9-7-15-39(47)41-27-33(19-23-49(41)55)35-21-25-51-43(29-35)45-31-46-44-30-36(22-26-52(44)58-54(46)32-53(45)57-51)34-20-24-50-42(28-34)40-16-8-10-18-48(40)56(50)38-13-5-2-6-14-38;1-3-7-29-21(5-1)23-11-13-25-27-17-19(9-15-31(27)39-35(25)33(23)37-29)20-10-16-32-28(18-20)26-14-12-24-22-6-2-4-8-30(22)38-34(24)36(26)40-32/h4*1-32H;1-18H
InChIKeyMYYONXOAUPTZJL-UHFFFAOYSA-N
MW3477.98 g/mol
LogP71.01
Rot. Bonds17

About 7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole

7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole (PubChem CID 159712006) has the molecular formula C252H146N8O12 and a molecular weight of 3477.98 g/mol. Its IUPAC name is 7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole.

Molecular Properties

Compound Name7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole
PubChem CID159712006
Molecular FormulaC252H146N8O12
Molecular Weight3477.98 g/mol
Exact Mass3475.11
IUPAC Name7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(ccc7oc8c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cccc8c76)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(ccc7oc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c76)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cccc8c7cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c7cc6c5c4)ccc32)cc1.c1ccc2c(c1)oc1c2ccc2c3cc(-c4ccc5oc6c(ccc7c8ccccc8oc76)c5c4)ccc3oc21
InChIInChI=1S/4C54H32N2O2.C36H18O4/c1-3-12-36(13-4-1)55-46-20-9-7-16-39(46)43-30-33(22-26-48(43)55)34-24-28-50-45(31-34)41-25-29-51-52(54(41)57-50)42-19-11-18-38(53(42)58-51)35-23-27-49-44(32-35)40-17-8-10-21-47(40)56(49)37-14-5-2-6-15-37;1-3-12-36(13-4-1)55-47-20-9-7-16-39(47)42-28-33(22-25-49(42)55)34-24-27-51-44(29-34)46-31-45-41-19-11-18-38(54(41)58-53(45)32-52(46)57-51)35-23-26-50-43(30-35)40-17-8-10-21-48(40)56(50)37-14-5-2-6-15-37;1-3-11-37(12-4-1)55-46-17-9-7-15-39(46)42-29-33(19-24-48(42)55)35-21-26-50-44(31-35)41-23-28-52-53(54(41)58-50)45-32-36(22-27-51(45)57-52)34-20-25-49-43(30-34)40-16-8-10-18-47(40)56(49)38-13-5-2-6-14-38;1-3-11-37(12-4-1)55-47-17-9-7-15-39(47)41-27-33(19-23-49(41)55)35-21-25-51-43(29-35)45-31-46-44-30-36(22-26-52(44)58-54(46)32-53(45)57-51)34-20-24-50-42(28-34)40-16-8-10-18-48(40)56(50)38-13-5-2-6-14-38;1-3-7-29-21(5-1)23-11-13-25-27-17-19(9-15-31(27)39-35(25)33(23)37-29)20-10-16-32-28(18-20)26-14-12-24-22-6-2-4-8-30(22)38-34(24)36(26)40-32/h4*1-32H;1-18H
InChIKeyMYYONXOAUPTZJL-UHFFFAOYSA-N
XLogP71.01
TPSA197.12 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003477.98
LogP ≤ 571.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole with MolForge

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Related Compounds

3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole
CID 161111078
3-[5-(3-carbazol-9-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;3-[18-(3-carbazol-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]-9-phenylcarbazole;3-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenylcarbazole;3-(18-dibenzofuran-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)-9-phenylcarbazole;3-[18-(3-dibenzofuran-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]-9-phenylcarbazole;9-phenyl-3-[3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl]phenyl]carbazole
CID 159911706
3-[6-(23-oxahexacyclo[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-dodecaen-20-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 154600099
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 142347126
3-dibenzofuran-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-3-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 163485111
N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804997
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 118565404

Frequently Asked Questions

What is the IUPAC name of 7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole?
The IUPAC name of 7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole (CID 159712006) is 7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole.
What is the SMILES notation for 7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole?
The canonical SMILES for 7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(ccc7oc8c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cccc8c76)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(ccc7oc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c76)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cccc8c7cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c7cc6c5c4)ccc32)cc1.c1ccc2c(c1)oc1c2ccc2c3cc(-c4ccc5oc6c(ccc7c8ccccc8oc76)c5c4)ccc3oc21.
What is the InChIKey of 7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole?
The InChIKey is MYYONXOAUPTZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C54H32N2O2.C36H18O4/c1-3-12-36(13-4-1)55-46-20-9-7-16-39(46)43-30-33(22-26-48(43)55)34-24-28-50-45(31-34)41-25-29-51-52(54(41)57-50)42-19-11-18-38(53(42)58-51)35-23-27-49-44(32-35)40-17-8-10-21-47(40)56(49)37-14-5-2-6-15-37;1-3-12-36(13-4-1)55-47-20-9-7-16-39(47)42-28-33(22-25-49(42)55)34-24-27-51-44(29-34)46-31-45-41-19-11-18-38(54(41)58-53(45)32-52(46)57-51)35-23-26-50-43(30-35)40-17-8-10-21-48(40)56(50)37-14-5-2-6-15-37;1-3-11-37(12-4-1)55-46-17-9-7-15-39(46)42-29-33(19-24-48(42)55)35-21-26-50-44(31-35)41-23-28-52-53(54(41)58-50)45-32-36(22-27-51(45)57-52)34-20-25-49-43(30-34)40-16-8-10-18-47(40)56(49)38-13-5-2-6-14-38;1-3-11-37(12-4-1)55-47-17-9-7-15-39(47)41-27-33(19-23-49(41)55)35-21-25-51-43(29-35)45-31-46-44-30-36(22-26-52(44)58-54(46)32-53(45)57-51)34-20-24-50-42(28-34)40-16-8-10-18-48(40)56(50)38-13-5-2-6-14-38;1-3-7-29-21(5-1)23-11-13-25-27-17-19(9-15-31(27)39-35(25)33(23)37-29)20-10-16-32-28(18-20)26-14-12-24-22-6-2-4-8-30(22)38-34(24)36(26)40-32/h4*1-32H;1-18H.
What are the key properties of 7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole?
7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole has a molecular weight of 3477.98 g/mol, XLogP of 71.01, 17 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole is sourced from PubChem (CID 159712006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).