5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene

C228H124N12O4 — CID 158851298

IUPAC5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6c7ccccc7n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c(c8c9ccccc9n5c84)c67)ccc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1c3c4ccccc4n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c(c5c6ccccc6n2c51)c34.c1ccc2c(c1)oc1c(-c3ccc4c(c3)c3c5c6ccccc6n6c7ccc(-c8cccc9c8oc8ccccc89)cc7c(c7c8ccccc8n4c73)c56)cccc12.c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3c5c6ccccc6n6c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7c(c7c8ccccc8n4c73)c56)cc12
InChIInChI=1S/C66H38N4.C54H30N4.2C54H28N2O2/c1-3-15-43(16-4-1)67-53-23-11-7-19-45(53)49-35-39(27-31-57(49)67)41-29-33-59-51(37-41)63-61-47-21-9-14-26-56(47)70-60-34-30-42(38-52(60)64(66(61)70)62-48-22-10-13-25-55(48)69(59)65(62)63)40-28-32-58-50(36-40)46-20-8-12-24-54(46)68(58)44-17-5-2-6-18-44;1-7-19-41-33(13-1)34-14-2-8-20-42(34)55(41)31-25-27-47-39(29-31)51-49-37-17-5-12-24-46(37)58-48-28-26-32(56-43-21-9-3-15-35(43)36-16-4-10-22-44(36)56)30-40(48)52(54(49)58)50-38-18-6-11-23-45(38)57(47)53(50)51;1-5-19-41-37(13-1)47-49-39-27-29(31-15-9-17-35-33-11-3-7-21-45(33)57-53(31)35)24-26-44(39)56-42-20-6-2-14-38(42)48(52(49)56)50-40-28-30(23-25-43(40)55(41)51(47)50)32-16-10-18-36-34-12-4-8-22-46(34)58-54(32)36;1-5-13-41-35(11-1)49-51-39-27-29(31-19-23-47-37(25-31)33-9-3-7-15-45(33)57-47)18-22-44(39)56-42-14-6-2-12-36(42)50(54(51)56)52-40-28-30(17-21-43(40)55(41)53(49)52)32-20-24-48-38(26-32)34-10-4-8-16-46(34)58-48/h1-38H;1-30H;2*1-28H
InChIKeyIZMFDLPMOMSSKJ-UHFFFAOYSA-N
MW3095.58 g/mol
LogP61.94
Rot. Bonds10

About 5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene

5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene (PubChem CID 158851298) has the molecular formula C228H124N12O4 and a molecular weight of 3095.58 g/mol. Its IUPAC name is 5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene.

Molecular Properties

Compound Name5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
PubChem CID158851298
Molecular FormulaC228H124N12O4
Molecular Weight3095.58 g/mol
Exact Mass3092.99
IUPAC Name5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6c7ccccc7n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c(c8c9ccccc9n5c84)c67)ccc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1c3c4ccccc4n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c(c5c6ccccc6n2c51)c34.c1ccc2c(c1)oc1c(-c3ccc4c(c3)c3c5c6ccccc6n6c7ccc(-c8cccc9c8oc8ccccc89)cc7c(c7c8ccccc8n4c73)c56)cccc12.c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3c5c6ccccc6n6c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7c(c7c8ccccc8n4c73)c56)cc12
InChIInChI=1S/C66H38N4.C54H30N4.2C54H28N2O2/c1-3-15-43(16-4-1)67-53-23-11-7-19-45(53)49-35-39(27-31-57(49)67)41-29-33-59-51(37-41)63-61-47-21-9-14-26-56(47)70-60-34-30-42(38-52(60)64(66(61)70)62-48-22-10-13-25-55(48)69(59)65(62)63)40-28-32-58-50(36-40)46-20-8-12-24-54(46)68(58)44-17-5-2-6-18-44;1-7-19-41-33(13-1)34-14-2-8-20-42(34)55(41)31-25-27-47-39(29-31)51-49-37-17-5-12-24-46(37)58-48-28-26-32(56-43-21-9-3-15-35(43)36-16-4-10-22-44(36)56)30-40(48)52(54(49)58)50-38-18-6-11-23-45(38)57(47)53(50)51;1-5-19-41-37(13-1)47-49-39-27-29(31-15-9-17-35-33-11-3-7-21-45(33)57-53(31)35)24-26-44(39)56-42-20-6-2-14-38(42)48(52(49)56)50-40-28-30(23-25-43(40)55(41)51(47)50)32-16-10-18-36-34-12-4-8-22-46(34)58-54(32)36;1-5-13-41-35(11-1)49-51-39-27-29(31-19-23-47-37(25-31)33-9-3-7-15-45(33)57-47)18-22-44(39)56-42-14-6-2-12-36(42)50(54(51)56)52-40-28-30(17-21-43(40)55(41)53(49)52)32-20-24-48-38(26-32)34-10-4-8-16-46(34)58-48/h1-38H;1-30H;2*1-28H
InChIKeyIZMFDLPMOMSSKJ-UHFFFAOYSA-N
XLogP61.94
TPSA107.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003095.58
LogP ≤ 561.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene with MolForge

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Related Compounds

3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 162123659
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-5-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159165938
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole
CID 170302335
N-[4-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160835458
4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;6-phenyl-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole
CID 167657719
3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572

Frequently Asked Questions

What is the IUPAC name of 5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene?
The IUPAC name of 5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene (CID 158851298) is 5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene.
What is the SMILES notation for 5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene?
The canonical SMILES for 5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6c7ccccc7n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c(c8c9ccccc9n5c84)c67)ccc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1c3c4ccccc4n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c(c5c6ccccc6n2c51)c34.c1ccc2c(c1)oc1c(-c3ccc4c(c3)c3c5c6ccccc6n6c7ccc(-c8cccc9c8oc8ccccc89)cc7c(c7c8ccccc8n4c73)c56)cccc12.c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3c5c6ccccc6n6c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7c(c7c8ccccc8n4c73)c56)cc12.
What is the InChIKey of 5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene?
The InChIKey is IZMFDLPMOMSSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N4.C54H30N4.2C54H28N2O2/c1-3-15-43(16-4-1)67-53-23-11-7-19-45(53)49-35-39(27-31-57(49)67)41-29-33-59-51(37-41)63-61-47-21-9-14-26-56(47)70-60-34-30-42(38-52(60)64(66(61)70)62-48-22-10-13-25-55(48)69(59)65(62)63)40-28-32-58-50(36-40)46-20-8-12-24-54(46)68(58)44-17-5-2-6-18-44;1-7-19-41-33(13-1)34-14-2-8-20-42(34)55(41)31-25-27-47-39(29-31)51-49-37-17-5-12-24-46(37)58-48-28-26-32(56-43-21-9-3-15-35(43)36-16-4-10-22-44(36)56)30-40(48)52(54(49)58)50-38-18-6-11-23-45(38)57(47)53(50)51;1-5-19-41-37(13-1)47-49-39-27-29(31-15-9-17-35-33-11-3-7-21-45(33)57-53(31)35)24-26-44(39)56-42-20-6-2-14-38(42)48(52(49)56)50-40-28-30(23-25-43(40)55(41)51(47)50)32-16-10-18-36-34-12-4-8-22-46(34)58-54(32)36;1-5-13-41-35(11-1)49-51-39-27-29(31-19-23-47-37(25-31)33-9-3-7-15-45(33)57-47)18-22-44(39)56-42-14-6-2-12-36(42)50(54(51)56)52-40-28-30(17-21-43(40)55(41)53(49)52)32-20-24-48-38(26-32)34-10-4-8-16-46(34)58-48/h1-38H;1-30H;2*1-28H.
What are the key properties of 5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene?
5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene has a molecular weight of 3095.58 g/mol, XLogP of 61.94, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene is sourced from PubChem (CID 158851298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).