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

C24H21N — CID 142380806

IUPAC14-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
SMILESCCC1c2ccccc2C=Cc2c1ccc1c2c2ccccc2n1C
InChIInChI=1S/C24H21N/c1-3-17-18-9-5-4-8-16(18)12-13-20-19(17)14-15-23-24(20)21-10-6-7-11-22(21)25(23)2/h4-15,17H,3H2,1-2H3
InChIKeyIMDUOVQCJWPGBF-UHFFFAOYSA-N
MW323.44 g/mol
LogP6.36
Rot. Bonds1

About 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

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 (PubChem CID 142380806) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-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
PubChem CID142380806
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name14-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
SMILESCCC1c2ccccc2C=Cc2c1ccc1c2c2ccccc2n1C
InChIInChI=1S/C24H21N/c1-3-17-18-9-5-4-8-16(18)12-13-20-19(17)14-15-23-24(20)21-10-6-7-11-22(21)25(23)2/h4-15,17H,3H2,1-2H3
InChIKeyIMDUOVQCJWPGBF-UHFFFAOYSA-N
XLogP6.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
(3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol
CID 134836453
4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol
CID 169016358
ethane;bis(9-methylcarbazole)
CID 159710949
9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole
CID 129306339
N-cyclohexyl-9-methylcarbazol-4-amine
CID 135060643
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
ethane;9-methylcarbazole;triphenylene
CID 142356751
5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 144782003
9-methyl-2-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;9-methyl-3-(9-methylcarbazol-4-yl)carbazole;9-methyl-4-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-[4-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 159041111
ethene;12-methyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145210762
3,4-ditert-butyl-9-methylcarbazole
CID 155346853

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1c2ccccc2C=Cc2c1ccc1c2c2ccccc2n1C.
What is the InChIKey of 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?
The InChIKey is IMDUOVQCJWPGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N/c1-3-17-18-9-5-4-8-16(18)12-13-20-19(17)14-15-23-24(20)21-10-6-7-11-22(21)25(23)2/h4-15,17H,3H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 323.44 g/mol, XLogP of 6.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142380806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).