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

C318H185N9O15 — CID 159911706

IUPAC3-[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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(ccc7oc8ccc(-c9ccc%10oc%11ccccc%11c%10c9)cc8c76)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(ccc7oc8ccc(-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)cc8c76)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8ccc(-c9ccc%10oc%11ccccc%11c%10c9)cc8c7cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8ccc(-c9cccc(-c%10ccc%11oc%12ccccc%12c%11c%10)c9)cc8c7cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8ccc(-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)cc8c7cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6oc7ccc8c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc9oc8c7c6c5)c4)ccc32)cc1
InChIInChI=1S/C60H36N2O2.2C54H32N2O2.C54H31NO3.2C48H27NO3/c1-3-14-43(15-4-1)61-52-20-9-7-18-45(52)48-33-39(22-27-54(48)61)37-12-11-13-38(32-37)42-25-30-57-51(36-42)59-58(63-57)31-26-47-50-35-41(24-29-56(50)64-60(47)59)40-23-28-55-49(34-40)46-19-8-10-21-53(46)62(55)44-16-5-2-6-17-44;1-2-12-37(13-3-1)55-48-20-9-6-17-41(48)43-30-34(21-25-49(43)55)35-22-26-50-44(31-35)42-24-28-52-53(54(42)58-50)45-32-36(23-27-51(45)57-52)33-11-10-14-38(29-33)56-46-18-7-4-15-39(46)40-16-5-8-19-47(40)56;1-2-12-37(13-3-1)55-49-20-9-6-17-41(49)42-28-34(21-24-50(42)55)36-23-26-52-44(30-36)46-31-45-43-29-35(22-25-51(43)57-53(45)32-54(46)58-52)33-11-10-14-38(27-33)56-47-18-7-4-15-39(47)40-16-5-8-19-48(40)56;1-2-11-38(12-3-1)55-47-15-6-4-13-39(47)41-26-34(17-21-48(41)55)37-20-24-52-44(29-37)46-30-45-43-28-36(19-23-51(43)57-53(45)31-54(46)58-52)33-10-8-9-32(25-33)35-18-22-50-42(27-35)40-14-5-7-16-49(40)56-50;1-2-8-32(9-3-1)49-40-12-6-4-10-33(40)36-24-28(14-19-41(36)49)30-16-21-44-38(26-30)35-18-23-46-47(48(35)52-44)39-27-31(17-22-45(39)51-46)29-15-20-43-37(25-29)34-11-5-7-13-42(34)50-43;1-2-8-32(9-3-1)49-41-12-6-4-10-33(41)35-22-28(14-18-42(35)49)30-16-20-45-37(24-30)39-26-40-38-25-31(17-21-46(38)52-48(40)27-47(39)51-45)29-15-19-44-36(23-29)34-11-5-7-13-43(34)50-44/h1-36H;2*1-32H;1-31H;2*1-27H
InChIKeyNXGKJWFWHGVEBH-UHFFFAOYSA-N
MW4372.03 g/mol
LogP89.82
Rot. Bonds23

About 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

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 (PubChem CID 159911706) has the molecular formula C318H185N9O15 and a molecular weight of 4372.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159911706
Molecular FormulaC318H185N9O15
Molecular Weight4372.03 g/mol
Exact Mass4368.40
IUPAC Name3-[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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(ccc7oc8ccc(-c9ccc%10oc%11ccccc%11c%10c9)cc8c76)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(ccc7oc8ccc(-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)cc8c76)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8ccc(-c9ccc%10oc%11ccccc%11c%10c9)cc8c7cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8ccc(-c9cccc(-c%10ccc%11oc%12ccccc%12c%11c%10)c9)cc8c7cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8ccc(-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)cc8c7cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6oc7ccc8c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc9oc8c7c6c5)c4)ccc32)cc1
InChIInChI=1S/C60H36N2O2.2C54H32N2O2.C54H31NO3.2C48H27NO3/c1-3-14-43(15-4-1)61-52-20-9-7-18-45(52)48-33-39(22-27-54(48)61)37-12-11-13-38(32-37)42-25-30-57-51(36-42)59-58(63-57)31-26-47-50-35-41(24-29-56(50)64-60(47)59)40-23-28-55-49(34-40)46-19-8-10-21-53(46)62(55)44-16-5-2-6-17-44;1-2-12-37(13-3-1)55-48-20-9-6-17-41(48)43-30-34(21-25-49(43)55)35-22-26-50-44(31-35)42-24-28-52-53(54(42)58-50)45-32-36(23-27-51(45)57-52)33-11-10-14-38(29-33)56-46-18-7-4-15-39(46)40-16-5-8-19-47(40)56;1-2-12-37(13-3-1)55-49-20-9-6-17-41(49)42-28-34(21-24-50(42)55)36-23-26-52-44(30-36)46-31-45-43-29-35(22-25-51(43)57-53(45)32-54(46)58-52)33-11-10-14-38(27-33)56-47-18-7-4-15-39(47)40-16-5-8-19-48(40)56;1-2-11-38(12-3-1)55-47-15-6-4-13-39(47)41-26-34(17-21-48(41)55)37-20-24-52-44(29-37)46-30-45-43-28-36(19-23-51(43)57-53(45)31-54(46)58-52)33-10-8-9-32(25-33)35-18-22-50-42(27-35)40-14-5-7-16-49(40)56-50;1-2-8-32(9-3-1)49-40-12-6-4-10-33(40)36-24-28(14-19-41(36)49)30-16-21-44-38(26-30)35-18-23-46-47(48(35)52-44)39-27-31(17-22-45(39)51-46)29-15-20-43-37(25-29)34-11-5-7-13-42(34)50-43;1-2-8-32(9-3-1)49-41-12-6-4-10-33(41)35-22-28(14-18-42(35)49)30-16-20-45-37(24-30)39-26-40-38-25-31(17-21-46(38)52-48(40)27-47(39)51-45)29-15-19-44-36(23-29)34-11-5-7-13-43(34)50-44/h1-36H;2*1-32H;1-31H;2*1-27H
InChIKeyNXGKJWFWHGVEBH-UHFFFAOYSA-N
XLogP89.82
TPSA241.47 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms342
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004372.03
LogP ≤ 589.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(ccc7oc8ccc(-c9ccc%10oc%11ccccc%11c%10c9)cc8c76)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(ccc7oc8ccc(-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)cc8c76)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8ccc(-c9ccc%10oc%11ccccc%11c%10c9)cc8c7cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8ccc(-c9cccc(-c%10ccc%11oc%12ccccc%12c%11c%10)c9)cc8c7cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7oc8ccc(-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)cc8c7cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6oc7ccc8c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc9oc8c7c6c5)c4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is NXGKJWFWHGVEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O2.2C54H32N2O2.C54H31NO3.2C48H27NO3/c1-3-14-43(15-4-1)61-52-20-9-7-18-45(52)48-33-39(22-27-54(48)61)37-12-11-13-38(32-37)42-25-30-57-51(36-42)59-58(63-57)31-26-47-50-35-41(24-29-56(50)64-60(47)59)40-23-28-55-49(34-40)46-19-8-10-21-53(46)62(55)44-16-5-2-6-17-44;1-2-12-37(13-3-1)55-48-20-9-6-17-41(48)43-30-34(21-25-49(43)55)35-22-26-50-44(31-35)42-24-28-52-53(54(42)58-50)45-32-36(23-27-51(45)57-52)33-11-10-14-38(29-33)56-46-18-7-4-15-39(46)40-16-5-8-19-47(40)56;1-2-12-37(13-3-1)55-49-20-9-6-17-41(49)42-28-34(21-24-50(42)55)36-23-26-52-44(30-36)46-31-45-43-29-35(22-25-51(43)57-53(45)32-54(46)58-52)33-11-10-14-38(27-33)56-47-18-7-4-15-39(47)40-16-5-8-19-48(40)56;1-2-11-38(12-3-1)55-47-15-6-4-13-39(47)41-26-34(17-21-48(41)55)37-20-24-52-44(29-37)46-30-45-43-28-36(19-23-51(43)57-53(45)31-54(46)58-52)33-10-8-9-32(25-33)35-18-22-50-42(27-35)40-14-5-7-16-49(40)56-50;1-2-8-32(9-3-1)49-40-12-6-4-10-33(40)36-24-28(14-19-41(36)49)30-16-21-44-38(26-30)35-18-23-46-47(48(35)52-44)39-27-31(17-22-45(39)51-46)29-15-20-43-37(25-29)34-11-5-7-13-42(34)50-43;1-2-8-32(9-3-1)49-41-12-6-4-10-33(41)35-22-28(14-18-42(35)49)30-16-20-45-37(24-30)39-26-40-38-25-31(17-21-46(38)52-48(40)27-47(39)51-45)29-15-19-44-36(23-29)34-11-5-7-13-43(34)50-44/h1-36H;2*1-32H;1-31H;2*1-27H.
What are the key properties of 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?
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 has a molecular weight of 4372.03 g/mol, XLogP of 89.82, 23 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159911706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).