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

C52H29N3 — CID 169056505

IUPAC7-(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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8cc9c(cc8n(c45)c76)c4cc5ccccc5c5c6ccccc6n9c45)ccc32)cc1
InChIInChI=1S/C52H29N3/c1-2-13-32(14-3-1)53-44-22-8-6-16-35(44)40-26-31(24-25-46(40)53)34-18-10-19-36-37-20-11-21-38-41-28-47-42(29-48(41)55(50(34)36)51(37)38)43-27-30-12-4-5-15-33(30)49-39-17-7-9-23-45(39)54(47)52(43)49/h1-29H
InChIKeyWLTOUMXLVZVLRD-UHFFFAOYSA-N
MW695.83 g/mol
LogP13.90
Rot. Bonds2

About 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

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 (PubChem CID 169056505) has the molecular formula C52H29N3 and a molecular weight of 695.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID169056505
Molecular FormulaC52H29N3
Molecular Weight695.83 g/mol
Exact Mass695.24
IUPAC Name7-(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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8cc9c(cc8n(c45)c76)c4cc5ccccc5c5c6ccccc6n9c45)ccc32)cc1
InChIInChI=1S/C52H29N3/c1-2-13-32(14-3-1)53-44-22-8-6-16-35(44)40-26-31(24-25-46(40)53)34-18-10-19-36-37-20-11-21-38-41-28-47-42(29-48(41)55(50(34)36)51(37)38)43-27-30-12-4-5-15-33(30)49-39-17-7-9-23-45(39)54(47)52(43)49/h1-29H
InChIKeyWLTOUMXLVZVLRD-UHFFFAOYSA-N
XLogP13.90
TPSA13.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.83
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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
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-(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
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)-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
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
9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31(39),32,34,36-nonadecaene
CID 169055845
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
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
9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene
CID 169056763
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8cc9c(cc8n(c45)c76)c4cc5ccccc5c5c6ccccc6n9c45)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is WLTOUMXLVZVLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N3/c1-2-13-32(14-3-1)53-44-22-8-6-16-35(44)40-26-31(24-25-46(40)53)34-18-10-19-36-37-20-11-21-38-41-28-47-42(29-48(41)55(50(34)36)51(37)38)43-27-30-12-4-5-15-33(30)49-39-17-7-9-23-45(39)54(47)52(43)49/h1-29H.
What are the key properties of 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?
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 has a molecular weight of 695.83 g/mol, XLogP of 13.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169056505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).