23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene

C30H20N2 — CID 170187674

IUPAC23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene
SMILESCc1ccc2c3cccc4c5ccccc5c5ccccc5c5cccnc5n(c2c1)c43
InChIInChI=1S/C30H20N2/c1-19-15-16-24-26-13-6-12-25-22-10-4-2-8-20(22)21-9-3-5-11-23(21)27-14-7-17-31-30(27)32(29(25)26)28(24)18-19/h2-18H,1H3
InChIKeyIJAAJMWZCSNGRI-UHFFFAOYSA-N
MW408.50 g/mol
LogP7.97
Rot. Bonds

About 23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene

23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene (PubChem CID 170187674) has the molecular formula C30H20N2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene.

Molecular Properties

Compound Name23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene
PubChem CID170187674
Molecular FormulaC30H20N2
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC Name23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene
SMILESCc1ccc2c3cccc4c5ccccc5c5ccccc5c5cccnc5n(c2c1)c43
InChIInChI=1S/C30H20N2/c1-19-15-16-24-26-13-6-12-25-22-10-4-2-8-20(22)21-9-3-5-11-23(21)27-14-7-17-31-30(27)32(29(25)26)28(24)18-19/h2-18H,1H3
InChIKeyIJAAJMWZCSNGRI-UHFFFAOYSA-N
XLogP7.97
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene 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

7-methyl-9-phenylpyrido[2,3-b]indole
CID 140770345
16-(2-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 140680827
16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 140680723
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
5,11-dimethyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15,17,19,21(25),22-dodecaene
CID 170037845
16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 171748625
2,7-dimethyl-9-pyridin-2-ylcarbazole
CID 59557260
12,18-dimethyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 143996049
18-methyl-6,12,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15(20),16,18-decaene
CID 159760734
9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163465409
9-methylpyrido[2,3-b]indole
CID 12596580
9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 123701995

Frequently Asked Questions

What is the IUPAC name of 23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene?
The IUPAC name of 23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene (CID 170187674) is 23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene.
What is the SMILES notation for 23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene?
The canonical SMILES for 23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene is Cc1ccc2c3cccc4c5ccccc5c5ccccc5c5cccnc5n(c2c1)c43.
What is the InChIKey of 23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene?
The InChIKey is IJAAJMWZCSNGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2/c1-19-15-16-24-26-13-6-12-25-22-10-4-2-8-20(22)21-9-3-5-11-23(21)27-14-7-17-31-30(27)32(29(25)26)28(24)18-19/h2-18H,1H3.
What are the key properties of 23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene?
23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene has a molecular weight of 408.50 g/mol, XLogP of 7.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene is sourced from PubChem (CID 170187674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).