23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene

C24H16N2 — CID 140948898

IUPAC23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene
SMILESCn1cc2c3cc4c(ccc5ccccc54)cc3c3cccnc3c2c1
InChIInChI=1S/C24H16N2/c1-26-13-22-21-12-19-16(9-8-15-5-2-3-6-17(15)19)11-20(21)18-7-4-10-25-24(18)23(22)14-26/h2-14H,1H3
InChIKeyMQBOIQAJDLOPQD-UHFFFAOYSA-N
MW332.41 g/mol
LogP6.19
Rot. Bonds

About 23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene

23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene (PubChem CID 140948898) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene.

Molecular Properties

Compound Name23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene
PubChem CID140948898
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene
SMILESCn1cc2c3cc4c(ccc5ccccc54)cc3c3cccnc3c2c1
InChIInChI=1S/C24H16N2/c1-26-13-22-21-12-19-16(9-8-15-5-2-3-6-17(15)19)11-20(21)18-7-4-10-25-24(18)23(22)14-26/h2-14H,1H3
InChIKeyMQBOIQAJDLOPQD-UHFFFAOYSA-N
XLogP6.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene with MolForge

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Related Compounds

17-methyl-17,21-diazahexacyclo[12.11.0.03,12.05,10.015,19.020,25]pentacosa-1,3,5,7,9,11,13,15,18,20(25),21,23-dodecaene
CID 140948896
15,16,21-triazahexacyclo[12.11.0.03,12.04,9.015,19.020,25]pentacosa-1(14),2,4,6,8,10,12,16,18,20(25),21,23-dodecaene
CID 140949602
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
2-methylpyrrolo[3,4-f][2,7]phenanthroline
CID 140950302
benzo[h]quinoline;naphthalene
CID 175017782
CID 87856781
CID 87856781
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
naphtho[1,2-b]phenanthrene
CID 5889
24-methyl-19,24-diazahexacyclo[12.11.0.02,11.05,10.015,20.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,18,20,22-dodecaene
CID 140949511
21-thia-13-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1,3,5,7,9,11,13,15,17,19,22,24,26,28-tetradecaene
CID 139436486
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
6,12-di(phenanthren-9-yl)quinolino[8,7-h]quinoline
CID 88544757

Frequently Asked Questions

What is the IUPAC name of 23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene?
The IUPAC name of 23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene (CID 140948898) is 23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene.
What is the SMILES notation for 23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene?
The canonical SMILES for 23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene is Cn1cc2c3cc4c(ccc5ccccc54)cc3c3cccnc3c2c1.
What is the InChIKey of 23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene?
The InChIKey is MQBOIQAJDLOPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2/c1-26-13-22-21-12-19-16(9-8-15-5-2-3-6-17(15)19)11-20(21)18-7-4-10-25-24(18)23(22)14-26/h2-14H,1H3.
What are the key properties of 23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene?
23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene has a molecular weight of 332.41 g/mol, XLogP of 6.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene is sourced from PubChem (CID 140948898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).