7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene

C55H30N4 — CID 169056414

IUPAC7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6cccc7c8cc9c(nc8n(c45)c76)c4c5ccccc5cc5c6ccccc6n9c54)ccc32)cc1
InChIInChI=1S/C55H30N4/c1-2-15-34(16-3-1)57-45-23-10-8-19-37(45)41-29-33(25-26-47(41)57)49-35-17-6-4-13-31(35)28-43-39-21-12-22-40-44-30-48-51(56-55(44)59(52(39)40)53(43)49)50-36-18-7-5-14-32(36)27-42-38-20-9-11-24-46(38)58(48)54(42)50/h1-30H
InChIKeyBENCQCJLTGBWLN-UHFFFAOYSA-N
MW746.87 g/mol
LogP14.45
Rot. Bonds2

About 7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene

7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene (PubChem CID 169056414) has the molecular formula C55H30N4 and a molecular weight of 746.87 g/mol. Its IUPAC name is 7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene.

Molecular Properties

Compound Name7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene
PubChem CID169056414
Molecular FormulaC55H30N4
Molecular Weight746.87 g/mol
Exact Mass746.25
IUPAC Name7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6cccc7c8cc9c(nc8n(c45)c76)c4c5ccccc5cc5c6ccccc6n9c54)ccc32)cc1
InChIInChI=1S/C55H30N4/c1-2-15-34(16-3-1)57-45-23-10-8-19-37(45)41-29-33(25-26-47(41)57)49-35-17-6-4-13-31(35)28-43-39-21-12-22-40-44-30-48-51(56-55(44)59(52(39)40)53(43)49)50-36-18-7-5-14-32(36)27-42-38-20-9-11-24-46(38)58(48)54(42)50/h1-30H
InChIKeyBENCQCJLTGBWLN-UHFFFAOYSA-N
XLogP14.45
TPSA26.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.87
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene with MolForge

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Related Compounds

7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene
CID 169057522
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
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
9,14-ditert-butyl-22-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.032,37.016,40]tetraconta-1(38),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31(39),32,34,36-nonadecaene
CID 169057053
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
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
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
9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene
CID 169057278
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
9,14,33-tritert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21,23,25,27,29,31(35),32-heptadecaene
CID 169056255
7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene
CID 169057048
9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene
CID 169056698

Frequently Asked Questions

What is the IUPAC name of 7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene?
The IUPAC name of 7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene (CID 169056414) is 7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene.
What is the SMILES notation for 7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene?
The canonical SMILES for 7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6cccc7c8cc9c(nc8n(c45)c76)c4c5ccccc5cc5c6ccccc6n9c54)ccc32)cc1.
What is the InChIKey of 7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene?
The InChIKey is BENCQCJLTGBWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N4/c1-2-15-34(16-3-1)57-45-23-10-8-19-37(45)41-29-33(25-26-47(41)57)49-35-17-6-4-13-31(35)28-43-39-21-12-22-40-44-30-48-51(56-55(44)59(52(39)40)53(43)49)50-36-18-7-5-14-32(36)27-42-38-20-9-11-24-46(38)58(48)54(42)50/h1-30H.
What are the key properties of 7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene?
7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene has a molecular weight of 746.87 g/mol, XLogP of 14.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35,37-nonadecaene is sourced from PubChem (CID 169056414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).