12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene

C23H15N3O — CID 132505085

IUPAC12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESCc1ccccc1-c1cc2oc3ccccc3c2c2nc3cccnc3n12
InChIInChI=1S/C23H15N3O/c1-14-7-2-3-8-15(14)18-13-20-21(16-9-4-5-11-19(16)27-20)23-25-17-10-6-12-24-22(17)26(18)23/h2-13H,1H3
InChIKeyOPCWTIKLVQRDDJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP5.76
Rot. Bonds1

About 12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene

12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene (PubChem CID 132505085) has the molecular formula C23H15N3O and a molecular weight of 349.39 g/mol. Its IUPAC name is 12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene
PubChem CID132505085
Molecular FormulaC23H15N3O
Molecular Weight349.39 g/mol
Exact Mass349.12
IUPAC Name12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESCc1ccccc1-c1cc2oc3ccccc3c2c2nc3cccnc3n12
InChIInChI=1S/C23H15N3O/c1-14-7-2-3-8-15(14)18-13-20-21(16-9-4-5-11-19(16)27-20)23-25-17-10-6-12-24-22(17)26(18)23/h2-13H,1H3
InChIKeyOPCWTIKLVQRDDJ-UHFFFAOYSA-N
XLogP5.76
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.39
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene 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

11-(2-methylphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-one
CID 4899991
3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine
CID 172506694
12-methyl-5-[4-[4-(12-methyl-14,16,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaen-5-yl)phenyl]phenyl]-14,16,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 163531915
22,27,29,31-tetrazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3,5(13),7,9,11,14,18,21,23(28),24,26,30(35),31,33-hexadecaene
CID 160625586
3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran
CID 170175004
25,27,29,34-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene
CID 157124269
2-dibenzofuran-1-yl-4-[6-(2-methylphenyl)naphthalen-2-yl]-6-naphthalen-2-yl-1,3,5-triazine
CID 177112954
2-(2-methylphenyl)dibenzofuran
CID 118188503
8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669158
2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;2-[3,5-bis(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-naphthalen-1-ylimidazo[4,5-b]pyridine;2-[3,5-bis[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine
CID 159563284
16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene
CID 146383205
2-[3-[2,5-dimethyl-3,4-bis[2-methyl-3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-2-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 89032045

Frequently Asked Questions

What is the IUPAC name of 12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene?
The IUPAC name of 12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene (CID 132505085) is 12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene is Cc1ccccc1-c1cc2oc3ccccc3c2c2nc3cccnc3n12.
What is the InChIKey of 12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene?
The InChIKey is OPCWTIKLVQRDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O/c1-14-7-2-3-8-15(14)18-13-20-21(16-9-4-5-11-19(16)27-20)23-25-17-10-6-12-24-22(17)26(18)23/h2-13H,1H3.
What are the key properties of 12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene?
12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene has a molecular weight of 349.39 g/mol, XLogP of 5.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-methylphenyl)-9-oxa-13,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(20),2(10),3,5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 132505085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).