1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene

C18H12N2 — CID 142023551

IUPAC1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene
SMILESC1=Cc2c(n3c4ccccc4c4cccc2c43)C=CN1
InChIInChI=1S/C18H12N2/c1-2-7-16-12(4-1)14-5-3-6-15-13-8-10-19-11-9-17(13)20(16)18(14)15/h1-11,19H
InChIKeyDLEAEFWCAMRGLZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.23
Rot. Bonds

About 1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene

1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene (PubChem CID 142023551) has the molecular formula C18H12N2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene.

Molecular Properties

Compound Name1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene
PubChem CID142023551
Molecular FormulaC18H12N2
Molecular Weight256.31 g/mol
Exact Mass256.10
IUPAC Name1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene
SMILESC1=Cc2c(n3c4ccccc4c4cccc2c43)C=CN1
InChIInChI=1S/C18H12N2/c1-2-7-16-12(4-1)14-5-3-6-15-13-8-10-19-11-9-17(13)20(16)18(14)15/h1-11,19H
InChIKeyDLEAEFWCAMRGLZ-UHFFFAOYSA-N
XLogP4.23
TPSA16.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene with MolForge

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Related Compounds

19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
6,13-diazahexacyclo[11.10.1.02,6.07,12.014,19.020,24]tetracosa-1(23),2,4,7,9,11,14,16,18,20(24),21-undecaene
CID 121385973
4,20,32-triazaundecacyclo[18.16.1.14,11.121,25.02,19.03,16.05,10.026,31.033,37.015,39.032,38]nonatriaconta-1(37),2(19),3(16),5,7,9,11(39),12,14,17,21,23,25(38),26,28,30,33,35-octadecaene
CID 171595081
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
19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene
CID 138507041
4-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2,5,7,9,11(18),12,14,16-octaene
CID 163298313
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221908
2,20-diazaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(30),3(16),4,6,8,10,12,14,17,21,23,25,27(31),28-tetradecaen-19-one
CID 146639154
1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;ethane
CID 167576917
5-chloro-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 130456935
25-methyl-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene
CID 168811096
6-chloro-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15,17,19,21(25),22-dodecaene
CID 166692123

Frequently Asked Questions

What is the IUPAC name of 1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene?
The IUPAC name of 1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene (CID 142023551) is 1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene.
What is the SMILES notation for 1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene?
The canonical SMILES for 1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene is C1=Cc2c(n3c4ccccc4c4cccc2c43)C=CN1.
What is the InChIKey of 1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene?
The InChIKey is DLEAEFWCAMRGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2/c1-2-7-16-12(4-1)14-5-3-6-15-13-8-10-19-11-9-17(13)20(16)18(14)15/h1-11,19H.
What are the key properties of 1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene?
1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene has a molecular weight of 256.31 g/mol, XLogP of 4.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,16-diazapentacyclo[10.7.1.02,7.08,20.013,19]icosa-2,4,6,8(20),9,11,13(19),14,17-nonaene is sourced from PubChem (CID 142023551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).