4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene

C34H24N2 — CID 145351037

IUPAC4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene
SMILESCCn1c2ccccc2c2c3c(c4c5cccc6c7cc8cccc(C)c8cc7n(c65)c4c21)C=CC3
InChIInChI=1S/C34H24N2/c1-3-35-28-16-5-4-11-24(28)30-21-12-7-13-22(21)31-25-15-8-14-23-27-17-20-10-6-9-19(2)26(20)18-29(27)36(32(23)25)34(31)33(30)35/h4-11,13-18H,3,12H2,1-2H3
InChIKeyOKOJUVHMPGRRBH-UHFFFAOYSA-N
MW460.58 g/mol
LogP9.00
Rot. Bonds1

About 4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene

4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene (PubChem CID 145351037) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene.

Molecular Properties

Compound Name4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene
PubChem CID145351037
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene
SMILESCCn1c2ccccc2c2c3c(c4c5cccc6c7cc8cccc(C)c8cc7n(c65)c4c21)C=CC3
InChIInChI=1S/C34H24N2/c1-3-35-28-16-5-4-11-24(28)30-21-12-7-13-22(21)31-25-15-8-14-23-27-17-20-10-6-9-19(2)26(20)18-29(27)36(32(23)25)34(31)33(30)35/h4-11,13-18H,3,12H2,1-2H3
InChIKeyOKOJUVHMPGRRBH-UHFFFAOYSA-N
XLogP9.00
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene with MolForge

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Related Compounds

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1,5-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,26.028,39.029,38.030,35.016,40]tetraconta-2(19),3,6,8,10,12(40),13,15,17,20(39),21,23,25,27,29(38),30,32,34,36-nonadecaene;1,5-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,26.028,39.029,38.031,36.016,40]tetraconta-2(19),3,6,8,10,12(40),13,15,17,20(39),21,23,25,27,29,31,33,35,37-nonadecaene;1,5-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.022,27.028,39.029,38.031,36.016,40]tetraconta-2(19),3,6,8,10,12(40),13,15,17,20,22,24,26,28(39),29,31,33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.028,39.029,38.030,35.020,40]tetraconta-2(23),3,6(15),7,9,11,13,16(40),17,19,21,24(39),25,27,29(38),30,32,34,36-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.032,39.033,38.020,40]tetraconta-2(23),3,6,8,10,12,14,16(40),17,19,21,24(39),25,27,29,31,33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.026,31.032,39.033,38.020,40]tetraconta-2(23),3,6,8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.028,39.029,38.030,35.020,40]tetraconta-2(23),3,6,8,10,12,14,16(40),17,19,21,24(39),25,27,29(38),30,32,34,36-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,30.032,39.033,38.020,40]tetraconta-2(23),3,6(15),7,9,11,13,16,18,20(40),21,24(39),25,27,29,31,33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.026,31.032,39.033,38.020,40]tetraconta-2(23),3,6(15),7,9,11,13,16,18,20(40),21,24,26,28,30,32(39),33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.028,39.029,38.030,35.020,40]tetraconta-2(23),3,6(15),7,9,11,13,16,18,20(40),21,24(39),25,27,29(38),30,32,34,36-nonadecaene
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene?
The IUPAC name of 4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene (CID 145351037) is 4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene.
What is the SMILES notation for 4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene?
The canonical SMILES for 4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene is CCn1c2ccccc2c2c3c(c4c5cccc6c7cc8cccc(C)c8cc7n(c65)c4c21)C=CC3.
What is the InChIKey of 4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene?
The InChIKey is OKOJUVHMPGRRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2/c1-3-35-28-16-5-4-11-24(28)30-21-12-7-13-22(21)31-25-15-8-14-23-27-17-20-10-6-9-19(2)26(20)18-29(27)36(32(23)25)34(31)33(30)35/h4-11,13-18H,3,12H2,1-2H3.
What are the key properties of 4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene?
4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene has a molecular weight of 460.58 g/mol, XLogP of 9.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene is sourced from PubChem (CID 145351037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).