16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene

C26H21N — CID 164939565

IUPAC16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
SMILESCc1ccc2c(c1)c1ccccc1c1ccccc1c1ccccc1n2C
InChIInChI=1S/C26H21N/c1-18-15-16-26-24(17-18)22-12-6-4-10-20(22)19-9-3-5-11-21(19)23-13-7-8-14-25(23)27(26)2/h3-17H,1-2H3
InChIKeyRITJPKHWSRJZIO-UHFFFAOYSA-N
MW347.46 g/mol
LogP7.07
Rot. Bonds

About 16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene

16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene (PubChem CID 164939565) has the molecular formula C26H21N and a molecular weight of 347.46 g/mol. Its IUPAC name is 16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene.

Molecular Properties

Compound Name16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
PubChem CID164939565
Molecular FormulaC26H21N
Molecular Weight347.46 g/mol
Exact Mass347.17
IUPAC Name16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
SMILESCc1ccc2c(c1)c1ccccc1c1ccccc1c1ccccc1n2C
InChIInChI=1S/C26H21N/c1-18-15-16-26-24(17-18)22-12-6-4-10-20(22)19-9-3-5-11-21(19)23-13-7-8-14-25(23)27(26)2/h3-17H,1-2H3
InChIKeyRITJPKHWSRJZIO-UHFFFAOYSA-N
XLogP7.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene with MolForge

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Related Compounds

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CID 142356751
3-methyl-9-oxidocarbazole
CID 166517305
ethane;bis(9-methylcarbazole)
CID 159710949
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
3,9-dimethyl-6-phenylcarbazole
CID 59499447
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221908
9-methylcarbazole;3-methyl-6,9-diphenylcarbazole;9-methyl-3,6-diphenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3,6,9-trimethylcarbazole
CID 159340323
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
2,7-dimethyltriphenylene
CID 23261750

Frequently Asked Questions

What is the IUPAC name of 16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene?
The IUPAC name of 16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene (CID 164939565) is 16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene.
What is the SMILES notation for 16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene?
The canonical SMILES for 16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene is Cc1ccc2c(c1)c1ccccc1c1ccccc1c1ccccc1n2C.
What is the InChIKey of 16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene?
The InChIKey is RITJPKHWSRJZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N/c1-18-15-16-26-24(17-18)22-12-6-4-10-20(22)19-9-3-5-11-21(19)23-13-7-8-14-25(23)27(26)2/h3-17H,1-2H3.
What are the key properties of 16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene?
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene has a molecular weight of 347.46 g/mol, XLogP of 7.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene is sourced from PubChem (CID 164939565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).