7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene

C65H37N5 — CID 169057337

IUPAC7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8nc9c(cc8n(c45)c67)c4cccc5c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6n9c45)ccc32)cc1
InChIInChI=1S/C65H37N5/c1-3-15-40(16-4-1)67-55-29-9-7-19-44(55)52-35-38(31-33-57(52)67)42-21-11-23-46-49-26-14-28-51-60-59(69(61(42)46)64(49)51)37-54-50-27-13-25-48-47-24-12-22-43(62(47)70(63(48)50)65(54)66-60)39-32-34-58-53(36-39)45-20-8-10-30-56(45)68(58)41-17-5-2-6-18-41/h1-37H
InChIKeySWGFWWJWBMCISP-UHFFFAOYSA-N
MW888.05 g/mol
LogP16.91
Rot. Bonds4

About 7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene

7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene (PubChem CID 169057337) has the molecular formula C65H37N5 and a molecular weight of 888.05 g/mol. Its IUPAC name is 7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene.

Molecular Properties

Compound Name7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene
PubChem CID169057337
Molecular FormulaC65H37N5
Molecular Weight888.05 g/mol
Exact Mass887.30
IUPAC Name7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8nc9c(cc8n(c45)c67)c4cccc5c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6n9c45)ccc32)cc1
InChIInChI=1S/C65H37N5/c1-3-15-40(16-4-1)67-55-29-9-7-19-44(55)52-35-38(31-33-57(52)67)42-21-11-23-46-49-26-14-28-51-60-59(69(61(42)46)64(49)51)37-54-50-27-13-25-48-47-24-12-22-43(62(47)70(63(48)50)65(54)66-60)39-32-34-58-53(36-39)45-20-8-10-30-56(45)68(58)41-17-5-2-6-18-41/h1-37H
InChIKeySWGFWWJWBMCISP-UHFFFAOYSA-N
XLogP16.91
TPSA31.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.05
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene with MolForge

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Related Compounds

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[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]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
7,26-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)-5,22,24-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)-3,5,18,20-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
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
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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene?
The IUPAC name of 7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene (CID 169057337) is 7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene.
What is the SMILES notation for 7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene?
The canonical SMILES for 7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8nc9c(cc8n(c45)c67)c4cccc5c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6n9c45)ccc32)cc1.
What is the InChIKey of 7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene?
The InChIKey is SWGFWWJWBMCISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H37N5/c1-3-15-40(16-4-1)67-55-29-9-7-19-44(55)52-35-38(31-33-57(52)67)42-21-11-23-46-49-26-14-28-51-60-59(69(61(42)46)64(49)51)37-54-50-27-13-25-48-47-24-12-22-43(62(47)70(63(48)50)65(54)66-60)39-32-34-58-53(36-39)45-20-8-10-30-56(45)68(58)41-17-5-2-6-18-41/h1-37H.
What are the key properties of 7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene?
7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene has a molecular weight of 888.05 g/mol, XLogP of 16.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,22-bis(9-phenylcarbazol-3-yl)-3,5,20-triazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene is sourced from PubChem (CID 169057337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).