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

C52H29N3 — CID 169057065

IUPAC13-(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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8c9c%10cccc%11c%12ccc%13ccccc%13c%12n(c9ccc8n(c45)c67)c%11%10)ccc32)cc1
InChIInChI=1S/C52H29N3/c1-2-12-32(13-3-1)53-43-22-7-6-15-35(43)42-29-31(24-26-44(42)53)34-16-8-17-36-37-18-9-20-40-47-46(55(50(34)36)51(37)40)28-27-45-48(47)41-21-10-19-38-39-25-23-30-11-4-5-14-33(30)49(39)54(45)52(38)41/h1-29H
InChIKeyHUAXILUSAVORGV-UHFFFAOYSA-N
MW695.83 g/mol
LogP13.90
Rot. Bonds2

About 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

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 (PubChem CID 169057065) has the molecular formula C52H29N3 and a molecular weight of 695.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name13-(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
PubChem CID169057065
Molecular FormulaC52H29N3
Molecular Weight695.83 g/mol
Exact Mass695.24
IUPAC Name13-(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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8c9c%10cccc%11c%12ccc%13ccccc%13c%12n(c9ccc8n(c45)c67)c%11%10)ccc32)cc1
InChIInChI=1S/C52H29N3/c1-2-12-32(13-3-1)53-43-22-7-6-15-35(43)42-29-31(24-26-44(42)53)34-16-8-17-36-37-18-9-20-40-47-46(55(50(34)36)51(37)40)28-27-45-48(47)41-21-10-19-38-39-25-23-30-11-4-5-14-33(30)49(39)54(45)52(38)41/h1-29H
InChIKeyHUAXILUSAVORGV-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 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 with MolForge

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Related Compounds

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
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
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)-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
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
CID 144568635
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
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
13-(9-phenylcarbazol-3-yl)-15-azadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27,29,31(35),32-heptadecaene
CID 169056437
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
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene
CID 146334636

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8c9c%10cccc%11c%12ccc%13ccccc%13c%12n(c9ccc8n(c45)c67)c%11%10)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is HUAXILUSAVORGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N3/c1-2-12-32(13-3-1)53-43-22-7-6-15-35(43)42-29-31(24-26-44(42)53)34-16-8-17-36-37-18-9-20-40-47-46(55(50(34)36)51(37)40)28-27-45-48(47)41-21-10-19-38-39-25-23-30-11-4-5-14-33(30)49(39)54(45)52(38)41/h1-29H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 169057065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).