5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene

C57H33N9 — CID 129087599

IUPAC5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2nc3n(c2c1)c1nc2ccc(-n4c5ccccc5c5ccccc54)cc2n1c1nc2ccc(-n4c5ccccc5c5ccccc54)cc2n31
InChIInChI=1S/C57H33N9/c1-7-19-46-37(13-1)38-14-2-8-20-47(38)61(46)34-25-28-43-52(31-34)64-55(58-43)65-54-33-36(63-50-23-11-5-17-41(50)42-18-6-12-24-51(42)63)27-30-45(54)60-57(65)66-53-32-35(26-29-44(53)59-56(64)66)62-48-21-9-3-15-39(48)40-16-4-10-22-49(40)62/h1-33H
InChIKeyPGXHEZGSRXMRFK-UHFFFAOYSA-N
MW843.95 g/mol
LogP13.38
Rot. Bonds3

About 5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene

5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene (PubChem CID 129087599) has the molecular formula C57H33N9 and a molecular weight of 843.95 g/mol. Its IUPAC name is 5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene.

Molecular Properties

Compound Name5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene
PubChem CID129087599
Molecular FormulaC57H33N9
Molecular Weight843.95 g/mol
Exact Mass843.29
IUPAC Name5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2nc3n(c2c1)c1nc2ccc(-n4c5ccccc5c5ccccc54)cc2n1c1nc2ccc(-n4c5ccccc5c5ccccc54)cc2n31
InChIInChI=1S/C57H33N9/c1-7-19-46-37(13-1)38-14-2-8-20-47(38)61(46)34-25-28-43-52(31-34)64-55(58-43)65-54-33-36(63-50-23-11-5-17-41(50)42-18-6-12-24-51(42)63)27-30-45(54)60-57(65)66-53-32-35(26-29-44(53)59-56(64)66)62-48-21-9-3-15-39(48)40-16-4-10-22-49(40)62/h1-33H
InChIKeyPGXHEZGSRXMRFK-UHFFFAOYSA-N
XLogP13.38
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.95
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene with MolForge

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Related Compounds

16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene
CID 155785094
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
4-carbazol-9-yl-17-(8-carbazol-9-yldibenzothiophen-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546124
2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 168811192
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
4-(3-carbazol-9-ylcarbazol-9-yl)-17-thia-1,8,15,19-tetrazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546171
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
10-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaene
CID 169077364
3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 118243470
5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole
CID 169077352

Frequently Asked Questions

What is the IUPAC name of 5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene?
The IUPAC name of 5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene (CID 129087599) is 5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene.
What is the SMILES notation for 5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene?
The canonical SMILES for 5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene is c1ccc2c(c1)c1ccccc1n2-c1ccc2nc3n(c2c1)c1nc2ccc(-n4c5ccccc5c5ccccc54)cc2n1c1nc2ccc(-n4c5ccccc5c5ccccc54)cc2n31.
What is the InChIKey of 5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene?
The InChIKey is PGXHEZGSRXMRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N9/c1-7-19-46-37(13-1)38-14-2-8-20-47(38)61(46)34-25-28-43-52(31-34)64-55(58-43)65-54-33-36(63-50-23-11-5-17-41(50)42-18-6-12-24-51(42)63)27-30-45(54)60-57(65)66-53-32-35(26-29-44(53)59-56(64)66)62-48-21-9-3-15-39(48)40-16-4-10-22-49(40)62/h1-33H.
What are the key properties of 5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene?
5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene has a molecular weight of 843.95 g/mol, XLogP of 13.38, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene is sourced from PubChem (CID 129087599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).