12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene

C21H16N2O — CID 134845635

IUPAC12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene
SMILESCC1Oc2ccc3ccccc3c2-c2[nH]nc(-c3ccccc3)c21
InChIInChI=1S/C21H16N2O/c1-13-18-20(15-8-3-2-4-9-15)22-23-21(18)19-16-10-6-5-7-14(16)11-12-17(19)24-13/h2-13H,1H3,(H,22,23)
InChIKeyQWTYKTPUMDRKQC-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.35
Rot. Bonds1

About 12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene

12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene (PubChem CID 134845635) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene.

Molecular Properties

Compound Name12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene
PubChem CID134845635
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene
SMILESCC1Oc2ccc3ccccc3c2-c2[nH]nc(-c3ccccc3)c21
InChIInChI=1S/C21H16N2O/c1-13-18-20(15-8-3-2-4-9-15)22-23-21(18)19-16-10-6-5-7-14(16)11-12-17(19)24-13/h2-13H,1H3,(H,22,23)
InChIKeyQWTYKTPUMDRKQC-UHFFFAOYSA-N
XLogP5.35
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene with MolForge

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Related Compounds

3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole
CID 46861788
3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
CID 134179643
15,17-Diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine
CID 134132482
17-(4-Methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine
CID 134147264
17-(4-Fluorophenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine
CID 134148653
17-(4-Methylphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine
CID 134157669
(1)Benzopyrano(4,3-c)pyrazole, 2,4-dihydro-3-phenyl-
CID 1236282
3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole
CID 46888112
3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole
CID 71472821
7-methoxy-10,11-dihydro-3H-naphtho[1,2-g]indazole
CID 21821585
(5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166722415
2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-9-methyl-3-(4-methylphenyl)-
CID 3079086

Frequently Asked Questions

What is the IUPAC name of 12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene?
The IUPAC name of 12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene (CID 134845635) is 12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene.
What is the SMILES notation for 12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene?
The canonical SMILES for 12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene is CC1Oc2ccc3ccccc3c2-c2[nH]nc(-c3ccccc3)c21.
What is the InChIKey of 12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene?
The InChIKey is QWTYKTPUMDRKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-13-18-20(15-8-3-2-4-9-15)22-23-21(18)19-16-10-6-5-7-14(16)11-12-17(19)24-13/h2-13H,1H3,(H,22,23).
What are the key properties of 12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene?
12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene has a molecular weight of 312.37 g/mol, XLogP of 5.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-14-phenyl-11-oxa-15,16-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene is sourced from PubChem (CID 134845635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).