30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene

C166H98N8 — CID 157404392

IUPAC30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene
SMILESc1ccc(-n2c3cccc4c3c3c(cccc32)C23c5ccc(-n6c7ccccc7c7ccccc76)c6cccc(c56)C42c2cccc4c2c2c3cccc2n4-c2ccccc2)cc1.c1ccc(-n2c3cccc4c3c3c(cccc32)C23c5cccc6c5c5c(cccc5n6-c5ccccc5)C42c2cccc4c2c2c3cccc2n4-c2ccccc2)cc1.c1ccc(-n2c3cccc4c3c3c(cccc32)C23c5ccccc5-c5ccccc5C42c2cccc4c2c2c3cccc2n4-c2ccccc2)cc1
InChIInChI=1S/C60H35N3.C56H33N3.C50H30N2/c1-3-16-36(17-4-1)61-50-30-12-24-42-55(50)57-44(26-14-32-52(57)61)60-45-27-15-33-53-58(45)56-43(25-13-31-51(56)62(53)37-18-5-2-6-19-37)59(42,60)41-23-11-22-40-49(35-34-46(60)54(40)41)63-47-28-9-7-20-38(47)39-21-8-10-29-48(39)63;1-4-16-34(17-5-1)57-43-28-10-22-37-49(43)50-38(23-11-29-44(50)57)56-40-25-13-31-46-52(40)51-39(24-12-30-45(51)58(46)35-18-6-2-7-19-35)55(37,56)41-26-14-32-47-53(41)54-42(56)27-15-33-48(54)59(47)36-20-8-3-9-21-36;1-3-15-31(16-4-1)51-41-27-11-23-37-45(41)46-38(24-12-28-42(46)51)50-36-22-10-8-20-34(36)33-19-7-9-21-35(33)49(37,50)39-25-13-29-43-47(39)48-40(50)26-14-30-44(48)52(43)32-17-5-2-6-18-32/h1-35H;1-33H;1-30H
InChIKeyBNNXZDVHLQHHSS-UHFFFAOYSA-N
MW2204.67 g/mol
LogP39.58
Rot. Bonds8

About 30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene

30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene (PubChem CID 157404392) has the molecular formula C166H98N8 and a molecular weight of 2204.67 g/mol. Its IUPAC name is 30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene.

Molecular Properties

Compound Name30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene
PubChem CID157404392
Molecular FormulaC166H98N8
Molecular Weight2204.67 g/mol
Exact Mass2202.79
IUPAC Name30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene
SMILESc1ccc(-n2c3cccc4c3c3c(cccc32)C23c5ccc(-n6c7ccccc7c7ccccc76)c6cccc(c56)C42c2cccc4c2c2c3cccc2n4-c2ccccc2)cc1.c1ccc(-n2c3cccc4c3c3c(cccc32)C23c5cccc6c5c5c(cccc5n6-c5ccccc5)C42c2cccc4c2c2c3cccc2n4-c2ccccc2)cc1.c1ccc(-n2c3cccc4c3c3c(cccc32)C23c5ccccc5-c5ccccc5C42c2cccc4c2c2c3cccc2n4-c2ccccc2)cc1
InChIInChI=1S/C60H35N3.C56H33N3.C50H30N2/c1-3-16-36(17-4-1)61-50-30-12-24-42-55(50)57-44(26-14-32-52(57)61)60-45-27-15-33-53-58(45)56-43(25-13-31-51(56)62(53)37-18-5-2-6-19-37)59(42,60)41-23-11-22-40-49(35-34-46(60)54(40)41)63-47-28-9-7-20-38(47)39-21-8-10-29-48(39)63;1-4-16-34(17-5-1)57-43-28-10-22-37-49(43)50-38(23-11-29-44(50)57)56-40-25-13-31-46-52(40)51-39(24-12-30-45(51)58(46)35-18-6-2-7-19-35)55(37,56)41-26-14-32-47-53(41)54-42(56)27-15-33-48(54)59(47)36-20-8-3-9-21-36;1-3-15-31(16-4-1)51-41-27-11-23-37-45(41)46-38(24-12-28-42(46)51)50-36-22-10-8-20-34(36)33-19-7-9-21-35(33)49(37,50)39-25-13-29-43-47(39)48-40(50)26-14-30-44(48)52(43)32-17-5-2-6-18-32/h1-35H;1-33H;1-30H
InChIKeyBNNXZDVHLQHHSS-UHFFFAOYSA-N
XLogP39.58
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms174
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002204.67
LogP ≤ 539.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene?
The IUPAC name of 30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene (CID 157404392) is 30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene.
What is the SMILES notation for 30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene?
The canonical SMILES for 30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene is c1ccc(-n2c3cccc4c3c3c(cccc32)C23c5ccc(-n6c7ccccc7c7ccccc76)c6cccc(c56)C42c2cccc4c2c2c3cccc2n4-c2ccccc2)cc1.c1ccc(-n2c3cccc4c3c3c(cccc32)C23c5cccc6c5c5c(cccc5n6-c5ccccc5)C42c2cccc4c2c2c3cccc2n4-c2ccccc2)cc1.c1ccc(-n2c3cccc4c3c3c(cccc32)C23c5ccccc5-c5ccccc5C42c2cccc4c2c2c3cccc2n4-c2ccccc2)cc1.
What is the InChIKey of 30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene?
The InChIKey is BNNXZDVHLQHHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N3.C56H33N3.C50H30N2/c1-3-16-36(17-4-1)61-50-30-12-24-42-55(50)57-44(26-14-32-52(57)61)60-45-27-15-33-53-58(45)56-43(25-13-31-51(56)62(53)37-18-5-2-6-19-37)59(42,60)41-23-11-22-40-49(35-34-46(60)54(40)41)63-47-28-9-7-20-38(47)39-21-8-10-29-48(39)63;1-4-16-34(17-5-1)57-43-28-10-22-37-49(43)50-38(23-11-29-44(50)57)56-40-25-13-31-46-52(40)51-39(24-12-30-45(51)58(46)35-18-6-2-7-19-35)55(37,56)41-26-14-32-47-53(41)54-42(56)27-15-33-48(54)59(47)36-20-8-3-9-21-36;1-3-15-31(16-4-1)51-41-27-11-23-37-45(41)46-38(24-12-28-42(46)51)50-36-22-10-8-20-34(36)33-19-7-9-21-35(33)49(37,50)39-25-13-29-43-47(39)48-40(50)26-14-30-44(48)52(43)32-17-5-2-6-18-32/h1-35H;1-33H;1-30H.
What are the key properties of 30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene?
30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene has a molecular weight of 2204.67 g/mol, XLogP of 39.58, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 30-carbazol-9-yl-37,38-diphenyl-37,38-diazaundecacyclo[12.12.9.16,9.119,22.127,31.01,14.02,7.08,13.015,20.021,26.035,36]octatriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(36),28,30,32,34-heptadecaene;39,40-diphenyl-39,40-diazaundecacyclo[12.12.12.16,9.119,22.01,14.02,7.08,13.015,20.021,26.027,32.033,38]tetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27,29,31,33,35,37-octadecaene;39,40,41-triphenyl-39,40,41-triazadodecacyclo[12.12.12.16,9.119,22.131,34.01,14.02,7.08,13.015,20.021,26.027,32.033,38]hentetraconta-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24,27(32),28,30,33(38),34,36-octadecaene is sourced from PubChem (CID 157404392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).