5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene

C357H221N27O4 — CID 158134449

IUPAC5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
SMILESc1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)ccc2c2cc3c(cc2c2cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cnc24)n(-c2ccccc2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)ccc2c2cc3c(cc2c2cccnc24)n(-c2ccccc2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cc3c(cc2c2ccc(-n5c6ccccc6c6ccccc65)cc2c2cc(-n5c6ccccc6c6ccccc65)cnc24)n(-c2ccccc2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(C2c3ccccc3N(c3ccccc3)c3cc4c(cc32)c2ccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)cc2c2cc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)cnc2c2cc3oc5ccccc5n(-c5ccccc5)c3cc42)cc1
InChIInChI=1S/C102H63N7O.C101H62N8O.2C77H48N6O/c1-4-26-63(27-5-1)101-77-38-16-23-45-93(77)104(64-28-6-2-7-29-64)97-59-80-79(58-86(97)101)70-51-48-66(108-91-43-21-14-36-75(91)82-55-67(49-52-94(82)108)106-87-39-17-10-32-71(87)72-33-11-18-40-88(72)106)54-78(70)84-57-69(62-103-102(84)85-61-100-98(60-81(80)85)105(65-30-8-3-9-31-65)96-46-24-25-47-99(96)110-100)109-92-44-22-15-37-76(92)83-56-68(50-53-95(83)109)107-89-41-19-12-34-73(89)74-35-13-20-42-90(74)107;1-4-26-63(27-5-1)103-93-44-22-23-45-94(93)104(64-28-6-2-7-29-64)97-59-79-78(58-96(97)103)70-51-48-66(108-89-42-20-14-36-75(89)81-55-67(49-52-91(81)108)106-85-38-16-10-32-71(85)72-33-11-17-39-86(72)106)54-77(70)80-60-98-100(110-99-47-25-24-46-95(99)105(98)65-30-8-3-9-31-65)61-84(80)101-83(79)57-69(62-102-101)109-90-43-21-15-37-76(90)82-56-68(50-53-92(82)109)107-87-40-18-12-34-73(87)74-35-13-19-41-88(74)107;1-4-22-49(23-5-1)79-69-36-18-19-37-70(69)80(50-24-6-2-7-25-50)73-45-61-60(44-72(73)79)54-41-40-52(82-65-32-14-10-28-55(65)56-29-11-15-33-66(56)82)42-59(54)63-43-53(83-67-34-16-12-30-57(67)58-31-13-17-35-68(58)83)48-78-77(63)64-47-76-74(46-62(61)64)81(51-26-8-3-9-27-51)71-38-20-21-39-75(71)84-76;1-4-21-49(22-5-1)79-69-34-16-17-35-70(69)80(50-23-6-2-7-24-50)73-46-61-58-30-20-42-78-77(58)64-48-76-74(81(51-25-8-3-9-26-51)71-36-18-19-37-75(71)84-76)47-62(64)59-43-52(38-40-54(59)60(61)45-72(73)79)83-67-33-15-12-29-57(67)63-44-53(39-41-68(63)83)82-65-31-13-10-27-55(65)56-28-11-14-32-66(56)82/h1-62,101H;1-62H;2*1-48H/b79-70-,81-80-,84-78-,102-85+;78-70-,80-77-,83-79-,101-84+;60-54-,62-61-,63-59-,77-64+;60-54-,61-58-,62-59-,77-64+
InChIKeyFTEHRBYEALKBSW-IGXBXZGTSA-N
MW4952.88 g/mol
LogP93.51
Rot. Bonds24

About 5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene

5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene (PubChem CID 158134449) has the molecular formula C357H221N27O4 and a molecular weight of 4952.88 g/mol. Its IUPAC name is 5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene.

Molecular Properties

Compound Name5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
PubChem CID158134449
Molecular FormulaC357H221N27O4
Molecular Weight4952.88 g/mol
Exact Mass4948.79
IUPAC Name5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
SMILESc1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)ccc2c2cc3c(cc2c2cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cnc24)n(-c2ccccc2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)ccc2c2cc3c(cc2c2cccnc24)n(-c2ccccc2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cc3c(cc2c2ccc(-n5c6ccccc6c6ccccc65)cc2c2cc(-n5c6ccccc6c6ccccc65)cnc24)n(-c2ccccc2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(C2c3ccccc3N(c3ccccc3)c3cc4c(cc32)c2ccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)cc2c2cc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)cnc2c2cc3oc5ccccc5n(-c5ccccc5)c3cc42)cc1
InChIInChI=1S/C102H63N7O.C101H62N8O.2C77H48N6O/c1-4-26-63(27-5-1)101-77-38-16-23-45-93(77)104(64-28-6-2-7-29-64)97-59-80-79(58-86(97)101)70-51-48-66(108-91-43-21-14-36-75(91)82-55-67(49-52-94(82)108)106-87-39-17-10-32-71(87)72-33-11-18-40-88(72)106)54-78(70)84-57-69(62-103-102(84)85-61-100-98(60-81(80)85)105(65-30-8-3-9-31-65)96-46-24-25-47-99(96)110-100)109-92-44-22-15-37-76(92)83-56-68(50-53-95(83)109)107-89-41-19-12-34-73(89)74-35-13-20-42-90(74)107;1-4-26-63(27-5-1)103-93-44-22-23-45-94(93)104(64-28-6-2-7-29-64)97-59-79-78(58-96(97)103)70-51-48-66(108-89-42-20-14-36-75(89)81-55-67(49-52-91(81)108)106-85-38-16-10-32-71(85)72-33-11-17-39-86(72)106)54-77(70)80-60-98-100(110-99-47-25-24-46-95(99)105(98)65-30-8-3-9-31-65)61-84(80)101-83(79)57-69(62-102-101)109-90-43-21-15-37-76(90)82-56-68(50-53-92(82)109)107-87-40-18-12-34-73(87)74-35-13-19-41-88(74)107;1-4-22-49(23-5-1)79-69-36-18-19-37-70(69)80(50-24-6-2-7-25-50)73-45-61-60(44-72(73)79)54-41-40-52(82-65-32-14-10-28-55(65)56-29-11-15-33-66(56)82)42-59(54)63-43-53(83-67-34-16-12-30-57(67)58-31-13-17-35-68(58)83)48-78-77(63)64-47-76-74(46-62(61)64)81(51-26-8-3-9-27-51)71-38-20-21-39-75(71)84-76;1-4-21-49(22-5-1)79-69-34-16-17-35-70(69)80(50-23-6-2-7-24-50)73-46-61-58-30-20-42-78-77(58)64-48-76-74(81(51-25-8-3-9-26-51)71-36-18-19-37-75(71)84-76)47-62(64)59-43-52(38-40-54(59)60(61)45-72(73)79)83-67-33-15-12-29-57(67)63-44-53(39-41-68(63)83)82-65-31-13-10-27-55(65)56-28-11-14-32-66(56)82/h1-62,101H;1-62H;2*1-48H/b79-70-,81-80-,84-78-,102-85+;78-70-,80-77-,83-79-,101-84+;60-54-,62-61-,63-59-,77-64+;60-54-,61-58-,62-59-,77-64+
InChIKeyFTEHRBYEALKBSW-IGXBXZGTSA-N
XLogP93.51
TPSA215.82 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms388
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004952.88
LogP ≤ 593.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene with MolForge

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What is the IUPAC name of 5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene?
The IUPAC name of 5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene (CID 158134449) is 5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene.
What is the SMILES notation for 5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene?
The canonical SMILES for 5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene is c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)ccc2c2cc3c(cc2c2cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cnc24)n(-c2ccccc2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)ccc2c2cc3c(cc2c2cccnc24)n(-c2ccccc2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2cc3c(cc2c2ccc(-n5c6ccccc6c6ccccc65)cc2c2cc(-n5c6ccccc6c6ccccc65)cnc24)n(-c2ccccc2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(C2c3ccccc3N(c3ccccc3)c3cc4c(cc32)c2ccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)cc2c2cc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)cnc2c2cc3oc5ccccc5n(-c5ccccc5)c3cc42)cc1.
What is the InChIKey of 5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene?
The InChIKey is FTEHRBYEALKBSW-IGXBXZGTSA-N. The full InChI is InChI=1S/C102H63N7O.C101H62N8O.2C77H48N6O/c1-4-26-63(27-5-1)101-77-38-16-23-45-93(77)104(64-28-6-2-7-29-64)97-59-80-79(58-86(97)101)70-51-48-66(108-91-43-21-14-36-75(91)82-55-67(49-52-94(82)108)106-87-39-17-10-32-71(87)72-33-11-18-40-88(72)106)54-78(70)84-57-69(62-103-102(84)85-61-100-98(60-81(80)85)105(65-30-8-3-9-31-65)96-46-24-25-47-99(96)110-100)109-92-44-22-15-37-76(92)83-56-68(50-53-95(83)109)107-89-41-19-12-34-73(89)74-35-13-20-42-90(74)107;1-4-26-63(27-5-1)103-93-44-22-23-45-94(93)104(64-28-6-2-7-29-64)97-59-79-78(58-96(97)103)70-51-48-66(108-89-42-20-14-36-75(89)81-55-67(49-52-91(81)108)106-85-38-16-10-32-71(85)72-33-11-17-39-86(72)106)54-77(70)80-60-98-100(110-99-47-25-24-46-95(99)105(98)65-30-8-3-9-31-65)61-84(80)101-83(79)57-69(62-102-101)109-90-43-21-15-37-76(90)82-56-68(50-53-92(82)109)107-87-40-18-12-34-73(87)74-35-13-19-41-88(74)107;1-4-22-49(23-5-1)79-69-36-18-19-37-70(69)80(50-24-6-2-7-25-50)73-45-61-60(44-72(73)79)54-41-40-52(82-65-32-14-10-28-55(65)56-29-11-15-33-66(56)82)42-59(54)63-43-53(83-67-34-16-12-30-57(67)58-31-13-17-35-68(58)83)48-78-77(63)64-47-76-74(46-62(61)64)81(51-26-8-3-9-27-51)71-38-20-21-39-75(71)84-76;1-4-21-49(22-5-1)79-69-34-16-17-35-70(69)80(50-23-6-2-7-24-50)73-46-61-58-30-20-42-78-77(58)64-48-76-74(81(51-25-8-3-9-26-51)71-36-18-19-37-75(71)84-76)47-62(64)59-43-52(38-40-54(59)60(61)45-72(73)79)83-67-33-15-12-29-57(67)63-44-53(39-41-68(63)83)82-65-31-13-10-27-55(65)56-28-11-14-32-66(56)82/h1-62,101H;1-62H;2*1-48H/b79-70-,81-80-,84-78-,102-85+;78-70-,80-77-,83-79-,101-84+;60-54-,62-61-,63-59-,77-64+;60-54-,61-58-,62-59-,77-64+.
What are the key properties of 5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene?
5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene has a molecular weight of 4952.88 g/mol, XLogP of 93.51, 24 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5,25-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene;25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene is sourced from PubChem (CID 158134449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).