3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene

C28H17N — CID 163579719

IUPAC3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene
SMILESC1=c2c(n3c4c2cccc4c2cc4c5ccccc5c5cccc(c54)c23)=CCC1
InChIInChI=1S/C28H17N/c1-2-8-17-16(7-1)19-10-5-13-22-26(19)23(17)15-24-21-12-6-11-20-18-9-3-4-14-25(18)29(27(20)21)28(22)24/h1-2,5-15H,3-4H2
InChIKeyGGMNFFHKUBIYFH-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.94
Rot. Bonds

About 3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene

3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene (PubChem CID 163579719) has the molecular formula C28H17N and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene.

Molecular Properties

Compound Name3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene
PubChem CID163579719
Molecular FormulaC28H17N
Molecular Weight367.45 g/mol
Exact Mass367.14
IUPAC Name3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene
SMILESC1=c2c(n3c4c2cccc4c2cc4c5ccccc5c5cccc(c54)c23)=CCC1
InChIInChI=1S/C28H17N/c1-2-8-17-16(7-1)19-10-5-13-22-26(19)23(17)15-24-21-12-6-11-20-18-9-3-4-14-25(18)29(27(20)21)28(22)24/h1-2,5-15H,3-4H2
InChIKeyGGMNFFHKUBIYFH-UHFFFAOYSA-N
XLogP5.94
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene
CID 134436853
11-(4,6-diphenylpyrimidin-2-yl)-1,22-diazaoctacyclo[13.13.2.02,7.08,29.09,14.016,21.022,30.023,28]triaconta-2,4,6,8(29),9(14),10,12,15(30),16,20,23,25,27-tridecaene
CID 163521208
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
19-phenyl-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene
CID 146370093
9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 163995412
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
nonacyclo[16.14.1.12,13.04,12.05,10.022,33.023,31.025,30.017,34]tetratriaconta-1(32),2,4(12),5,7,9,13,15,17(34),18(33),19,21,23(31),25,27,29-hexadecaene-11,24-dione
CID 139044784
9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 162698923
19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene
CID 158816740
3,19-diphenylundecacyclo[19.19.1.15,9.02,20.04,18.010,15.023,36.024,29.030,35.037,41.016,42]dotetraconta-1(40),2,4(18),5,7,9(42),10,12,14,16,19,21(41),22,24,26,28,30,32,34,36,38-henicosaene
CID 142318881
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene
CID 154709573

Frequently Asked Questions

What is the IUPAC name of 3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene?
The IUPAC name of 3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene (CID 163579719) is 3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene.
What is the SMILES notation for 3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene?
The canonical SMILES for 3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene is C1=c2c(n3c4c2cccc4c2cc4c5ccccc5c5cccc(c54)c23)=CCC1.
What is the InChIKey of 3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene?
The InChIKey is GGMNFFHKUBIYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N/c1-2-8-17-16(7-1)19-10-5-13-22-26(19)23(17)15-24-21-12-6-11-20-18-9-3-4-14-25(18)29(27(20)21)28(22)24/h1-2,5-15H,3-4H2.
What are the key properties of 3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene?
3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene has a molecular weight of 367.45 g/mol, XLogP of 5.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene is sourced from PubChem (CID 163579719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).