22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene

C51H28N4 — CID 169057163

IUPAC22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c6c7ccccc7cc7c8c9c%10cccc%11c%12ccccc%12n(c9cnc8n(c45)c76)c%11%10)ccc32)cc1
InChIInChI=1S/C51H28N4/c1-2-13-31(14-3-1)53-41-22-8-7-17-35(41)39-26-30(24-25-43(39)53)33-18-10-20-37-45-32-15-5-4-12-29(32)27-40-47-46-38-21-11-19-36-34-16-6-9-23-42(34)54(49(36)38)44(46)28-52-51(47)55(48(33)37)50(40)45/h1-28H
InChIKeyFIGAWGGLMTWMGZ-UHFFFAOYSA-N
MW696.81 g/mol
LogP13.30
Rot. Bonds2

About 22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene

22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene (PubChem CID 169057163) has the molecular formula C51H28N4 and a molecular weight of 696.81 g/mol. Its IUPAC name is 22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene.

Molecular Properties

Compound Name22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene
PubChem CID169057163
Molecular FormulaC51H28N4
Molecular Weight696.81 g/mol
Exact Mass696.23
IUPAC Name22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c6c7ccccc7cc7c8c9c%10cccc%11c%12ccccc%12n(c9cnc8n(c45)c76)c%11%10)ccc32)cc1
InChIInChI=1S/C51H28N4/c1-2-13-31(14-3-1)53-41-22-8-7-17-35(41)39-26-30(24-25-43(39)53)33-18-10-20-37-45-32-15-5-4-12-29(32)27-40-47-46-38-21-11-19-36-34-16-6-9-23-42(34)54(49(36)38)44(46)28-52-51(47)55(48(33)37)50(40)45/h1-28H
InChIKeyFIGAWGGLMTWMGZ-UHFFFAOYSA-N
XLogP13.30
TPSA26.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.81
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene with MolForge

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Related Compounds

22-(9-phenylcarbazol-3-yl)-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.029,34.015,36]hexatriaconta-1(35),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27,29,31,33-heptadecaene
CID 169057005
13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene
CID 169056190
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
6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene
CID 169056597
7-(9-phenylcarbazol-3-yl)-5,20-diazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,26.027,35.028,33.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27(35),28,30,32-heptadecaene
CID 169056505
6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene
CID 169056276
7-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,26.027,35.028,33.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27(35),28,30,32-heptadecaene
CID 169057399
6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.027,32.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25,27,29,31,33,35(39),36-nonadecaene
CID 169056262
7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene
CID 169056573
7-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.032,37.016,40]tetraconta-1(38),2,4(17),6(11),7,9,12(40),13,15,18,21(30),22,24,26,28,31(39),32,34,36-nonadecaene
CID 169056375
6,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene
CID 169056799
7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12,14,16,18,20(40),21,25(30),26,28,31,33,35,37-nonadecaene
CID 169056043

Frequently Asked Questions

What is the IUPAC name of 22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene?
The IUPAC name of 22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene (CID 169057163) is 22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene.
What is the SMILES notation for 22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene?
The canonical SMILES for 22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6c7ccccc7cc7c8c9c%10cccc%11c%12ccccc%12n(c9cnc8n(c45)c76)c%11%10)ccc32)cc1.
What is the InChIKey of 22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene?
The InChIKey is FIGAWGGLMTWMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N4/c1-2-13-31(14-3-1)53-41-22-8-7-17-35(41)39-26-30(24-25-43(39)53)33-18-10-20-37-45-32-15-5-4-12-29(32)27-40-47-46-38-21-11-19-36-34-16-6-9-23-42(34)54(49(36)38)44(46)28-52-51(47)55(48(33)37)50(40)45/h1-28H.
What are the key properties of 22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene?
22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene has a molecular weight of 696.81 g/mol, XLogP of 13.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene is sourced from PubChem (CID 169057163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).