9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene

C116H64N4O2 — CID 159157638

IUPAC9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene
SMILESc1cc2c3c(c1)oc1cccc(c13)C13c4ccc(-n5c6ccccc6c6ccccc65)c5cccc(c45)C21c1cccc2c(-n4c5ccccc5c5ccccc54)ccc3c12.c1ccc(-n2c3ccccc3c3c4cccc5c4c(cc32)C23c4cc6c7ccccc7n(-c7ccccc7)c6c6cccc(c46)C52c2cccc4oc5cccc3c5c24)cc1
InChIInChI=1S/2C58H32N2O/c1-5-23-45-33(13-1)34-14-2-6-24-46(34)59(45)49-31-29-43-53-37(49)17-9-19-39(53)57-40-20-10-18-38-50(60-47-25-7-3-15-35(47)36-16-4-8-26-48(36)60)32-30-44(54(38)40)58(43,57)42-22-12-28-52-56(42)55-41(57)21-11-27-51(55)61-52;1-3-15-33(16-4-1)59-47-28-10-8-20-36(47)51-37-21-11-23-40-52(37)45(32-48(51)59)58-43-26-14-30-50-55(43)54-42(25-13-29-49(54)61-50)57(40,58)41-24-12-22-38-53(41)44(58)31-39-35-19-7-9-27-46(35)60(56(38)39)34-17-5-2-6-18-34/h2*1-32H
InChIKeyKKCAEBJXOQVSAS-UHFFFAOYSA-N
MW1545.81 g/mol
LogP28.79
Rot. Bonds4

About 9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene

9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene (PubChem CID 159157638) has the molecular formula C116H64N4O2 and a molecular weight of 1545.81 g/mol. Its IUPAC name is 9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene.

Molecular Properties

Compound Name9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene
PubChem CID159157638
Molecular FormulaC116H64N4O2
Molecular Weight1545.81 g/mol
Exact Mass1544.50
IUPAC Name9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene
SMILESc1cc2c3c(c1)oc1cccc(c13)C13c4ccc(-n5c6ccccc6c6ccccc65)c5cccc(c45)C21c1cccc2c(-n4c5ccccc5c5ccccc54)ccc3c12.c1ccc(-n2c3ccccc3c3c4cccc5c4c(cc32)C23c4cc6c7ccccc7n(-c7ccccc7)c6c6cccc(c46)C52c2cccc4oc5cccc3c5c24)cc1
InChIInChI=1S/2C58H32N2O/c1-5-23-45-33(13-1)34-14-2-6-24-46(34)59(45)49-31-29-43-53-37(49)17-9-19-39(53)57-40-20-10-18-38-50(60-47-25-7-3-15-35(47)36-16-4-8-26-48(36)60)32-30-44(54(38)40)58(43,57)42-22-12-28-52-56(42)55-41(57)21-11-27-51(55)61-52;1-3-15-33(16-4-1)59-47-28-10-8-20-36(47)51-37-21-11-23-40-52(37)45(32-48(51)59)58-43-26-14-30-50-55(43)54-42(25-13-29-49(54)61-50)57(40,58)41-24-12-22-38-53(41)44(58)31-39-35-19-7-9-27-46(35)60(56(38)39)34-17-5-2-6-18-34/h2*1-32H
InChIKeyKKCAEBJXOQVSAS-UHFFFAOYSA-N
XLogP28.79
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001545.81
LogP ≤ 528.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene with MolForge

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Related Compounds

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9-dibenzofuran-1-yl-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
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9-(29-carbazol-9-yl-35,35-diphenyl-35-germadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole
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3-dibenzofuran-3-yl-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
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Frequently Asked Questions

What is the IUPAC name of 9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene?
The IUPAC name of 9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene (CID 159157638) is 9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene.
What is the SMILES notation for 9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene?
The canonical SMILES for 9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene is c1cc2c3c(c1)oc1cccc(c13)C13c4ccc(-n5c6ccccc6c6ccccc65)c5cccc(c45)C21c1cccc2c(-n4c5ccccc5c5ccccc54)ccc3c12.c1ccc(-n2c3ccccc3c3c4cccc5c4c(cc32)C23c4cc6c7ccccc7n(-c7ccccc7)c6c6cccc(c46)C52c2cccc4oc5cccc3c5c24)cc1.
What is the InChIKey of 9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene?
The InChIKey is KKCAEBJXOQVSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H32N2O/c1-5-23-45-33(13-1)34-14-2-6-24-46(34)59(45)49-31-29-43-53-37(49)17-9-19-39(53)57-40-20-10-18-38-50(60-47-25-7-3-15-35(47)36-16-4-8-26-48(36)60)32-30-44(54(38)40)58(43,57)42-22-12-28-52-56(42)55-41(57)21-11-27-51(55)61-52;1-3-15-33(16-4-1)59-47-28-10-8-20-36(47)51-37-21-11-23-40-52(37)45(32-48(51)59)58-43-26-14-30-50-55(43)54-42(25-13-29-49(54)61-50)57(40,58)41-24-12-22-38-53(41)44(58)31-39-35-19-7-9-27-46(35)60(56(38)39)34-17-5-2-6-18-34/h2*1-32H.
What are the key properties of 9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene?
9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene has a molecular weight of 1545.81 g/mol, XLogP of 28.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(29-carbazol-9-yl-35-oxadecacyclo[12.9.9.16,9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]pentatriaconta-2(7),3,5,8(13),9,11,15(34),16,18,20,22,24,26,28,30,32-hexadecaen-18-yl)carbazole;11,31-diphenyl-47-oxa-11,31-diazatetradecacyclo[16.16.12.12,13.119,23.139,42.01,18.04,12.05,10.024,32.025,30.035,40.041,46.017,49.034,48]nonatetraconta-2(49),3,5,7,9,12,14,16,19,21,23(48),24(32),25,27,29,33,35(40),36,38,41(46),42,44-docosaene is sourced from PubChem (CID 159157638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).