5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene

C192H118N16 — CID 163886824

IUPAC5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene
SMILESc1ccc(-n2c3ccccc3n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(c6ccccc62)c5c43)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(c6ccccc62)c5c43)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3n3c4ccccc4c4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(c6ccccc62)c5c43)cc1
InChIInChI=1S/C72H44N6.2C60H37N5/c1-7-23-59-49(17-1)50-18-2-8-24-60(50)73(59)45-33-35-46(36-34-45)74-67-29-13-15-31-69(67)77-65-41-37-47(75-61-25-9-3-19-51(61)52-20-4-10-26-62(52)75)43-57(65)55-39-40-56-58-44-48(76-63-27-11-5-21-53(63)54-22-6-12-28-64(54)76)38-42-66(58)78(72(56)71(55)77)70-32-16-14-30-68(70)74;1-6-20-49-41(15-1)42-16-2-7-21-50(42)61(49)38-29-31-39(32-30-38)62-55-25-11-13-27-57(55)64-53-24-10-5-19-45(53)46-34-35-47-48-37-40(63-51-22-8-3-17-43(51)44-18-4-9-23-52(44)63)33-36-54(48)65(60(47)59(46)64)58-28-14-12-26-56(58)62;1-2-16-38(17-3-1)61-55-26-12-14-28-57(55)64-53-34-30-39(62-49-22-8-4-18-41(49)42-19-5-9-23-50(42)62)36-47(53)45-32-33-46-48-37-40(63-51-24-10-6-20-43(51)44-21-7-11-25-52(44)63)31-35-54(48)65(60(46)59(45)64)58-29-15-13-27-56(58)61/h1-44H;2*1-37H
InChIKeyPYBOTMNYPYZDET-UHFFFAOYSA-N
MW2649.17 g/mol
LogP49.61
Rot. Bonds10

About 5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene

5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene (PubChem CID 163886824) has the molecular formula C192H118N16 and a molecular weight of 2649.17 g/mol. Its IUPAC name is 5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene.

Molecular Properties

Compound Name5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene
PubChem CID163886824
Molecular FormulaC192H118N16
Molecular Weight2649.17 g/mol
Exact Mass2646.97
IUPAC Name5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene
SMILESc1ccc(-n2c3ccccc3n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(c6ccccc62)c5c43)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(c6ccccc62)c5c43)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3n3c4ccccc4c4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(c6ccccc62)c5c43)cc1
InChIInChI=1S/C72H44N6.2C60H37N5/c1-7-23-59-49(17-1)50-18-2-8-24-60(50)73(59)45-33-35-46(36-34-45)74-67-29-13-15-31-69(67)77-65-41-37-47(75-61-25-9-3-19-51(61)52-20-4-10-26-62(52)75)43-57(65)55-39-40-56-58-44-48(76-63-27-11-5-21-53(63)54-22-6-12-28-64(54)76)38-42-66(58)78(72(56)71(55)77)70-32-16-14-30-68(70)74;1-6-20-49-41(15-1)42-16-2-7-21-50(42)61(49)38-29-31-39(32-30-38)62-55-25-11-13-27-57(55)64-53-24-10-5-19-45(53)46-34-35-47-48-37-40(63-51-22-8-3-17-43(51)44-18-4-9-23-52(44)63)33-36-54(48)65(60(47)59(46)64)58-28-14-12-26-56(58)62;1-2-16-38(17-3-1)61-55-26-12-14-28-57(55)64-53-34-30-39(62-49-22-8-4-18-41(49)42-19-5-9-23-50(42)62)36-47(53)45-32-33-46-48-37-40(63-51-24-10-6-20-43(51)44-21-7-11-25-52(44)63)31-35-54(48)65(60(46)59(45)64)58-29-15-13-27-56(58)61/h1-44H;2*1-37H
InChIKeyPYBOTMNYPYZDET-UHFFFAOYSA-N
XLogP49.61
TPSA75.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms208
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002649.17
LogP ≤ 549.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene?
The IUPAC name of 5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene (CID 163886824) is 5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene.
What is the SMILES notation for 5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene?
The canonical SMILES for 5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene is c1ccc(-n2c3ccccc3n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(c6ccccc62)c5c43)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(c6ccccc62)c5c43)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3n3c4ccccc4c4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(c6ccccc62)c5c43)cc1.
What is the InChIKey of 5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene?
The InChIKey is PYBOTMNYPYZDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N6.2C60H37N5/c1-7-23-59-49(17-1)50-18-2-8-24-60(50)73(59)45-33-35-46(36-34-45)74-67-29-13-15-31-69(67)77-65-41-37-47(75-61-25-9-3-19-51(61)52-20-4-10-26-62(52)75)43-57(65)55-39-40-56-58-44-48(76-63-27-11-5-21-53(63)54-22-6-12-28-64(54)76)38-42-66(58)78(72(56)71(55)77)70-32-16-14-30-68(70)74;1-6-20-49-41(15-1)42-16-2-7-21-50(42)61(49)38-29-31-39(32-30-38)62-55-25-11-13-27-57(55)64-53-24-10-5-19-45(53)46-34-35-47-48-37-40(63-51-22-8-3-17-43(51)44-18-4-9-23-52(44)63)33-36-54(48)65(60(47)59(46)64)58-28-14-12-26-56(58)62;1-2-16-38(17-3-1)61-55-26-12-14-28-57(55)64-53-34-30-39(62-49-22-8-4-18-41(49)42-19-5-9-23-50(42)62)36-47(53)45-32-33-46-48-37-40(63-51-24-10-6-20-43(51)44-21-7-11-25-52(44)63)31-35-54(48)65(60(46)59(45)64)58-29-15-13-27-56(58)61/h1-44H;2*1-37H.
What are the key properties of 5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene?
5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene has a molecular weight of 2649.17 g/mol, XLogP of 49.61, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene is sourced from PubChem (CID 163886824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).