17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene

C56H31N3 — CID 169056683

IUPAC17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6cccc7c8c9c%10cccc%11c%12ccc%13ccccc%13c%12n(c9ccc8n(c45)c67)c%11%10)ccc32)cc1
InChIInChI=1S/C56H31N3/c1-2-14-35(15-3-1)57-46-23-9-8-18-38(46)44-31-34(25-27-47(44)57)50-36-16-6-5-13-33(36)30-45-40-20-11-22-43-52-49(59(55(40)43)56(45)50)29-28-48-51(52)42-21-10-19-39-41-26-24-32-12-4-7-17-37(32)53(41)58(48)54(39)42/h1-31H
InChIKeyIYPILSABULZLCZ-UHFFFAOYSA-N
MW745.89 g/mol
LogP15.06
Rot. Bonds2

About 17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene

17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene (PubChem CID 169056683) has the molecular formula C56H31N3 and a molecular weight of 745.89 g/mol. Its IUPAC name is 17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene.

Molecular Properties

Compound Name17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene
PubChem CID169056683
Molecular FormulaC56H31N3
Molecular Weight745.89 g/mol
Exact Mass745.25
IUPAC Name17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6cccc7c8c9c%10cccc%11c%12ccc%13ccccc%13c%12n(c9ccc8n(c45)c67)c%11%10)ccc32)cc1
InChIInChI=1S/C56H31N3/c1-2-14-35(15-3-1)57-46-23-9-8-18-38(46)44-31-34(25-27-47(44)57)50-36-16-6-5-13-33(36)30-45-40-20-11-22-43-52-49(59(55(40)43)56(45)50)29-28-48-51(52)42-21-10-19-39-41-26-24-32-12-4-7-17-37(32)53(41)58(48)54(39)42/h1-31H
InChIKeyIYPILSABULZLCZ-UHFFFAOYSA-N
XLogP15.06
TPSA13.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.89
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene with MolForge

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Related Compounds

13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.022,27.031,35.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21(30),22,24,26,28,31(35),32-heptadecaene
CID 169057065
10-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 134552566
6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene
CID 169056340
7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene
CID 169056849
18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene
CID 169056802
7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene
CID 169057233
26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene
CID 169056728
6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene
CID 169055842
7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene
CID 169056183
7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene
CID 169055856
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552522
13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene
CID 169056844

Frequently Asked Questions

What is the IUPAC name of 17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene?
The IUPAC name of 17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene (CID 169056683) is 17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene.
What is the SMILES notation for 17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene?
The canonical SMILES for 17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6cccc7c8c9c%10cccc%11c%12ccc%13ccccc%13c%12n(c9ccc8n(c45)c67)c%11%10)ccc32)cc1.
What is the InChIKey of 17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene?
The InChIKey is IYPILSABULZLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H31N3/c1-2-14-35(15-3-1)57-46-23-9-8-18-38(46)44-31-34(25-27-47(44)57)50-36-16-6-5-13-33(36)30-45-40-20-11-22-43-52-49(59(55(40)43)56(45)50)29-28-48-51(52)42-21-10-19-39-41-26-24-32-12-4-7-17-37(32)53(41)58(48)54(39)42/h1-31H.
What are the key properties of 17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene?
17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene has a molecular weight of 745.89 g/mol, XLogP of 15.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene is sourced from PubChem (CID 169056683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).