15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene

C297H204N18O — CID 157308052

IUPAC15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1cccc(-n2c4ccccc4c4ccccc42)c1-c1ccccc1-3.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1c-3cccc1-n1c2ccccc2c2ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1cc(-n2c4ccccc4c4ccccc42)ccc1-3.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1ccc(-n2c4ccccc4c4ccccc42)cc1-3.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1ccccc1-3.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)c2c2ccccc2c2cccnc24)cc1
InChIInChI=1S/C59H36N4O.4C50H35N3.C38H28N2/c1-2-16-37(17-3-1)61-53-28-12-13-30-56(53)64-57-36-48-46(35-55(57)61)44-23-14-29-54(58(44)43-22-5-4-18-39(43)45-24-15-33-60-59(45)48)63-51-27-11-8-21-42(51)47-34-38(31-32-52(47)63)62-49-25-9-6-19-40(49)41-20-7-10-26-50(41)62;1-50(2)41-24-10-13-27-45(41)52(32-16-4-3-5-17-32)47-31-39-33-18-6-7-21-36(33)48-37(38-23-15-29-51-49(38)40(39)30-42(47)50)22-14-28-46(48)53-43-25-11-8-19-34(43)35-20-9-12-26-44(35)53;1-50(2)41-24-10-13-27-45(41)52(32-16-4-3-5-17-32)47-31-39-37-22-14-28-46(53-43-25-11-8-19-34(43)35-20-9-12-26-44(35)53)48(37)36-21-7-6-18-33(36)38-23-15-29-51-49(38)40(39)30-42(47)50;1-50(2)43-22-10-13-25-47(43)52(32-15-4-3-5-16-32)48-31-41-36-27-26-33(53-45-23-11-8-19-37(45)38-20-9-12-24-46(38)53)29-40(36)35-18-7-6-17-34(35)39-21-14-28-51-49(39)42(41)30-44(48)50;1-50(2)43-22-10-13-25-47(43)52(32-15-4-3-5-16-32)48-31-41-40-29-33(53-45-23-11-8-19-37(45)38-20-9-12-24-46(38)53)26-27-36(40)34-17-6-7-18-35(34)39-21-14-28-51-49(39)42(41)30-44(48)50;1-38(2)33-20-10-11-21-35(33)40(25-13-4-3-5-14-25)36-24-31-29-18-9-7-16-27(29)26-15-6-8-17-28(26)30-19-12-22-39-37(30)32(31)23-34(36)38/h1-36H;4*3-31H,1-2H3;3-24H,1-2H3/b45-39-,46-44-,58-43+,59-48+;38-37-,39-33-,48-36+,49-40+;38-33-,39-37-,48-36+,49-40+;39-34-,40-35-,41-36-,49-42+;36-34-,39-35-,41-40-,49-42+;27-26-,30-28-,31-29-,37-32+
InChIKeyBCSLYSISFLPJHP-NCVKSLTKSA-N
MW4041.02 g/mol
LogP78.95
Rot. Bonds12

About 15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene

15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene (PubChem CID 157308052) has the molecular formula C297H204N18O and a molecular weight of 4041.02 g/mol. Its IUPAC name is 15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene.

Molecular Properties

Compound Name15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
PubChem CID157308052
Molecular FormulaC297H204N18O
Molecular Weight4041.02 g/mol
Exact Mass4037.65
IUPAC Name15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1cccc(-n2c4ccccc4c4ccccc42)c1-c1ccccc1-3.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1c-3cccc1-n1c2ccccc2c2ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1cc(-n2c4ccccc4c4ccccc42)ccc1-3.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1ccc(-n2c4ccccc4c4ccccc42)cc1-3.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1ccccc1-3.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)c2c2ccccc2c2cccnc24)cc1
InChIInChI=1S/C59H36N4O.4C50H35N3.C38H28N2/c1-2-16-37(17-3-1)61-53-28-12-13-30-56(53)64-57-36-48-46(35-55(57)61)44-23-14-29-54(58(44)43-22-5-4-18-39(43)45-24-15-33-60-59(45)48)63-51-27-11-8-21-42(51)47-34-38(31-32-52(47)63)62-49-25-9-6-19-40(49)41-20-7-10-26-50(41)62;1-50(2)41-24-10-13-27-45(41)52(32-16-4-3-5-17-32)47-31-39-33-18-6-7-21-36(33)48-37(38-23-15-29-51-49(38)40(39)30-42(47)50)22-14-28-46(48)53-43-25-11-8-19-34(43)35-20-9-12-26-44(35)53;1-50(2)41-24-10-13-27-45(41)52(32-16-4-3-5-17-32)47-31-39-37-22-14-28-46(53-43-25-11-8-19-34(43)35-20-9-12-26-44(35)53)48(37)36-21-7-6-18-33(36)38-23-15-29-51-49(38)40(39)30-42(47)50;1-50(2)43-22-10-13-25-47(43)52(32-15-4-3-5-16-32)48-31-41-36-27-26-33(53-45-23-11-8-19-37(45)38-20-9-12-24-46(38)53)29-40(36)35-18-7-6-17-34(35)39-21-14-28-51-49(39)42(41)30-44(48)50;1-50(2)43-22-10-13-25-47(43)52(32-15-4-3-5-16-32)48-31-41-40-29-33(53-45-23-11-8-19-37(45)38-20-9-12-24-46(38)53)26-27-36(40)34-17-6-7-18-35(34)39-21-14-28-51-49(39)42(41)30-44(48)50;1-38(2)33-20-10-11-21-35(33)40(25-13-4-3-5-14-25)36-24-31-29-18-9-7-16-27(29)26-15-6-8-17-28(26)30-19-12-22-39-37(30)32(31)23-34(36)38/h1-36H;4*3-31H,1-2H3;3-24H,1-2H3/b45-39-,46-44-,58-43+,59-48+;38-37-,39-33-,48-36+,49-40+;38-33-,39-37-,48-36+,49-40+;39-34-,40-35-,41-36-,49-42+;36-34-,39-35-,41-40-,49-42+;27-26-,30-28-,31-29-,37-32+
InChIKeyBCSLYSISFLPJHP-NCVKSLTKSA-N
XLogP78.95
TPSA141.19 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms316
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004041.02
LogP ≤ 578.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene with MolForge

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What is the IUPAC name of 15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene?
The IUPAC name of 15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene (CID 157308052) is 15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene.
What is the SMILES notation for 15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene?
The canonical SMILES for 15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene is CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1cccc(-n2c4ccccc4c4ccccc42)c1-c1ccccc1-3.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1c-3cccc1-n1c2ccccc2c2ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1cc(-n2c4ccccc4c4ccccc42)ccc1-3.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1ccc(-n2c4ccccc4c4ccccc42)cc1-3.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1ccccc1-3.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)c2c2ccccc2c2cccnc24)cc1.
What is the InChIKey of 15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene?
The InChIKey is BCSLYSISFLPJHP-NCVKSLTKSA-N. The full InChI is InChI=1S/C59H36N4O.4C50H35N3.C38H28N2/c1-2-16-37(17-3-1)61-53-28-12-13-30-56(53)64-57-36-48-46(35-55(57)61)44-23-14-29-54(58(44)43-22-5-4-18-39(43)45-24-15-33-60-59(45)48)63-51-27-11-8-21-42(51)47-34-38(31-32-52(47)63)62-49-25-9-6-19-40(49)41-20-7-10-26-50(41)62;1-50(2)41-24-10-13-27-45(41)52(32-16-4-3-5-17-32)47-31-39-33-18-6-7-21-36(33)48-37(38-23-15-29-51-49(38)40(39)30-42(47)50)22-14-28-46(48)53-43-25-11-8-19-34(43)35-20-9-12-26-44(35)53;1-50(2)41-24-10-13-27-45(41)52(32-16-4-3-5-17-32)47-31-39-37-22-14-28-46(53-43-25-11-8-19-34(43)35-20-9-12-26-44(35)53)48(37)36-21-7-6-18-33(36)38-23-15-29-51-49(38)40(39)30-42(47)50;1-50(2)43-22-10-13-25-47(43)52(32-15-4-3-5-16-32)48-31-41-36-27-26-33(53-45-23-11-8-19-37(45)38-20-9-12-24-46(38)53)29-40(36)35-18-7-6-17-34(35)39-21-14-28-51-49(39)42(41)30-44(48)50;1-50(2)43-22-10-13-25-47(43)52(32-15-4-3-5-16-32)48-31-41-40-29-33(53-45-23-11-8-19-37(45)38-20-9-12-24-46(38)53)26-27-36(40)34-17-6-7-18-35(34)39-21-14-28-51-49(39)42(41)30-44(48)50;1-38(2)33-20-10-11-21-35(33)40(25-13-4-3-5-14-25)36-24-31-29-18-9-7-16-27(29)26-15-6-8-17-28(26)30-19-12-22-39-37(30)32(31)23-34(36)38/h1-36H;4*3-31H,1-2H3;3-24H,1-2H3/b45-39-,46-44-,58-43+,59-48+;38-37-,39-33-,48-36+,49-40+;38-33-,39-37-,48-36+,49-40+;39-34-,40-35-,41-36-,49-42+;36-34-,39-35-,41-40-,49-42+;27-26-,30-28-,31-29-,37-32+.
What are the key properties of 15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene?
15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene has a molecular weight of 4041.02 g/mol, XLogP of 78.95, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3-carbazol-9-ylcarbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;12-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14,16,18,20,22(31),24,26,28-pentadecaene;15-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;16-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;17-carbazol-9-yl-30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene;30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene is sourced from PubChem (CID 157308052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).