5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene

C24H18N2O — CID 118915697

IUPAC5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene
SMILESCOc1ccc2c(c1)c1ncc3n1c1c(cc(-c4ccccc4)cc21)CC3
InChIInChI=1S/C24H18N2O/c1-27-19-9-10-20-21-12-17(15-5-3-2-4-6-15)11-16-7-8-18-14-25-24(22(20)13-19)26(18)23(16)21/h2-6,9-14H,7-8H2,1H3
InChIKeyMICZSEGMTXEWHP-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.41
Rot. Bonds2

About 5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene

5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene (PubChem CID 118915697) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene.

Molecular Properties

Compound Name5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene
PubChem CID118915697
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene
SMILESCOc1ccc2c(c1)c1ncc3n1c1c(cc(-c4ccccc4)cc21)CC3
InChIInChI=1S/C24H18N2O/c1-27-19-9-10-20-21-12-17(15-5-3-2-4-6-15)11-16-7-8-18-14-25-24(22(20)13-19)26(18)23(16)21/h2-6,9-14H,7-8H2,1H3
InChIKeyMICZSEGMTXEWHP-UHFFFAOYSA-N
XLogP5.41
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene with MolForge

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Related Compounds

17-phenyl-5-[(17-phenyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaen-5-yl)oxy]-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene
CID 140693863
9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;2,3-dimethylbutane;ethane
CID 144958721
6,20-dimethoxy-13-phenyl-3,23-dithia-1-azaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2(10),4(9),5,7,11,13,15(25),16(24),17(22),18,20-undecaene
CID 167209692
6,20-dimethoxy-13-phenyl-9,17-dioxa-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11,13,15(25),16(24),18(23),19,21-undecaene
CID 167209764
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CID 70654518
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CID 102237047
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
9-(5,7-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-3-phenyl-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610990
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8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene
CID 170534670
12,12,13,13-tetramethyl-5-[3-(4-phenylphenyl)-5-pyrazol-1-ylphenoxy]-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2(7),3,5,8,10,14,16-octaene
CID 140825545

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?
The IUPAC name of 5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene (CID 118915697) is 5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene.
What is the SMILES notation for 5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?
The canonical SMILES for 5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene is COc1ccc2c(c1)c1ncc3n1c1c(cc(-c4ccccc4)cc21)CC3.
What is the InChIKey of 5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?
The InChIKey is MICZSEGMTXEWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c1-27-19-9-10-20-21-12-17(15-5-3-2-4-6-15)11-16-7-8-18-14-25-24(22(20)13-19)26(18)23(16)21/h2-6,9-14H,7-8H2,1H3.
What are the key properties of 5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?
5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene has a molecular weight of 350.42 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-16-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene is sourced from PubChem (CID 118915697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).