20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene

C25H19N — CID 144609134

IUPAC20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene
SMILESCc1ccc2[nH]c3c4c(ccc3c2c1)C1C=CC=CC1c1ccccc1-4
InChIInChI=1S/C25H19N/c1-15-10-13-23-22(14-15)21-12-11-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)24(20)25(21)26-23/h2-14,16,18,26H,1H3
InChIKeyJYTMNCGINPPKTF-UHFFFAOYSA-N
MW333.43 g/mol
LogP6.60
Rot. Bonds

About 20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene

20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene (PubChem CID 144609134) has the molecular formula C25H19N and a molecular weight of 333.43 g/mol. Its IUPAC name is 20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene.

Molecular Properties

Compound Name20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene
PubChem CID144609134
Molecular FormulaC25H19N
Molecular Weight333.43 g/mol
Exact Mass333.15
IUPAC Name20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene
SMILESCc1ccc2[nH]c3c4c(ccc3c2c1)C1C=CC=CC1c1ccccc1-4
InChIInChI=1S/C25H19N/c1-15-10-13-23-22(14-15)21-12-11-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)24(20)25(21)26-23/h2-14,16,18,26H,1H3
InChIKeyJYTMNCGINPPKTF-UHFFFAOYSA-N
XLogP6.60
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene 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

3,6-dimethyl-9H-carbazole
CID 144942624
7-methyl-3-aza-13-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-20-one bromide
CID 155663132
1-bromo-3,6-dimethyl-9H-carbazole
CID 155672564
1,3,6-trimethyl-9H-carbazole
CID 139213984
2-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10681996
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole
CID 66828393
1-chloro-3,6-dimethyl-9H-carbazole
CID 174314278
7-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10776936
1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene
CID 157378116
2-methyl-5,11-dihydroindeno[1,2-b]carbazole
CID 146579673
N-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine
CID 19991285

Frequently Asked Questions

What is the IUPAC name of 20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene?
The IUPAC name of 20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene (CID 144609134) is 20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene.
What is the SMILES notation for 20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene?
The canonical SMILES for 20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene is Cc1ccc2[nH]c3c4c(ccc3c2c1)C1C=CC=CC1c1ccccc1-4.
What is the InChIKey of 20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene?
The InChIKey is JYTMNCGINPPKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N/c1-15-10-13-23-22(14-15)21-12-11-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)24(20)25(21)26-23/h2-14,16,18,26H,1H3.
What are the key properties of 20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene?
20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene has a molecular weight of 333.43 g/mol, XLogP of 6.60, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene is sourced from PubChem (CID 144609134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).