7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene

C34H18N2 — CID 138506886

IUPAC7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene
SMILESc1ccc2c(c1)c1cccc3c4c5ccc6c(c5ccc4n2c13)c1cccc2c3ccccc3n6c21
InChIInChI=1S/C34H18N2/c1-3-13-27-19(7-1)23-9-5-11-25-31-21-16-18-30-32(22(21)15-17-29(31)35(27)33(23)25)26-12-6-10-24-20-8-2-4-14-28(20)36(30)34(24)26/h1-18H
InChIKeyKHXUYEXKZITNPR-UHFFFAOYSA-N
MW454.53 g/mol
LogP9.14
Rot. Bonds

About 7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene

7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene (PubChem CID 138506886) has the molecular formula C34H18N2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene.

Molecular Properties

Compound Name7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene
PubChem CID138506886
Molecular FormulaC34H18N2
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC Name7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene
SMILESc1ccc2c(c1)c1cccc3c4c5ccc6c(c5ccc4n2c13)c1cccc2c3ccccc3n6c21
InChIInChI=1S/C34H18N2/c1-3-13-27-19(7-1)23-9-5-11-25-31-21-16-18-30-32(22(21)15-17-29(31)35(27)33(23)25)26-12-6-10-24-20-8-2-4-14-28(20)36(30)34(24)26/h1-18H
InChIKeyKHXUYEXKZITNPR-UHFFFAOYSA-N
XLogP9.14
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene with MolForge

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Related Compounds

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CID 11248716
Tris(4-carbazoyl-9-ylphenyl)amine
CID 9962045
2,2'-Di(9H-carbazol-9-yl)biphenyl
CID 12046749
2,7-di(9H-carbazol-9-yl)-9,9'-spirobi[fluorene]
CID 21032473
4,4'-Bis(9-carbazolyl)-2,2'-dimethylbiphenyl
CID 22020378
3,3'-Di(9H-carbazol-9-yl)-1,1'-biphenyl
CID 23386664
2,2'-Bis(4-(carbazol-9-yl)phenyl)-biphenyl
CID 57935312
4,4'-Bis(3,6-di-tert-butyl-9h-carbazol-9-yl)-1,1'-biphenyl
CID 59399845
9,9',9''-Triphenyl-9H,9'H,9''H-3,3':6',3''-tercarbazole
CID 68185634
9-(3-(9H-carbazol-9-yl)phenyl)-9H-3,9'-bicarbazole
CID 117957864
11-(4-Methylphenyl)benzo[a]carbazole
CID 73347703
1,3,5-Tris(2-(9-ethylcabazyl-3)ethylene)benzene
CID 16218121

Frequently Asked Questions

What is the IUPAC name of 7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene?
The IUPAC name of 7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene (CID 138506886) is 7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene.
What is the SMILES notation for 7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene?
The canonical SMILES for 7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene is c1ccc2c(c1)c1cccc3c4c5ccc6c(c5ccc4n2c13)c1cccc2c3ccccc3n6c21.
What is the InChIKey of 7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene?
The InChIKey is KHXUYEXKZITNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N2/c1-3-13-27-19(7-1)23-9-5-11-25-31-21-16-18-30-32(22(21)15-17-29(31)35(27)33(23)25)26-12-6-10-24-20-8-2-4-14-28(20)36(30)34(24)26/h1-18H.
What are the key properties of 7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene?
7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene has a molecular weight of 454.53 g/mol, XLogP of 9.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene is sourced from PubChem (CID 138506886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).