9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene

C21H15NO — CID 145449545

IUPAC9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
SMILESCn1c2ccccc2c2c3c(ccc21)Oc1ccccc1C=C3
InChIInChI=1S/C21H15NO/c1-22-17-8-4-3-7-15(17)21-16-11-10-14-6-2-5-9-19(14)23-20(16)13-12-18(21)22/h2-13H,1H3
InChIKeyUIALQKXLDZCMGE-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.61
Rot. Bonds

About 9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene

9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene (PubChem CID 145449545) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene.

Molecular Properties

Compound Name9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
PubChem CID145449545
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
SMILESCn1c2ccccc2c2c3c(ccc21)Oc1ccccc1C=C3
InChIInChI=1S/C21H15NO/c1-22-17-8-4-3-7-15(17)21-16-11-10-14-6-2-5-9-19(14)23-20(16)13-12-18(21)22/h2-13H,1H3
InChIKeyUIALQKXLDZCMGE-UHFFFAOYSA-N
XLogP5.61
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene 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

14-ethyl-9-methyl-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
CID 142380806
9-[5-(2,6-diphenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
CID 118362699
4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol
CID 169016358
ethane;bis(9-methylcarbazole)
CID 159710949
10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 138662202
9-methyl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 166026537
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
ethane;9-methylcarbazole;triphenylene
CID 142356751
21-methyl-9-thia-21-azahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 129296816
9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole
CID 59182447
3,4-ditert-butyl-9-methylcarbazole
CID 155346853
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600

Frequently Asked Questions

What is the IUPAC name of 9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene?
The IUPAC name of 9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene (CID 145449545) is 9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene.
What is the SMILES notation for 9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene?
The canonical SMILES for 9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene is Cn1c2ccccc2c2c3c(ccc21)Oc1ccccc1C=C3.
What is the InChIKey of 9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene?
The InChIKey is UIALQKXLDZCMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO/c1-22-17-8-4-3-7-15(17)21-16-11-10-14-6-2-5-9-19(14)23-20(16)13-12-18(21)22/h2-13H,1H3.
What are the key properties of 9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene?
9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene has a molecular weight of 297.36 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene is sourced from PubChem (CID 145449545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).