12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene

C23H14N2 — CID 155769701

IUPAC12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene
SMILESc1ccc2cc3c(cc2c1)c1cc2ccccc2cc1n1ccnc31
InChIInChI=1S/C23H14N2/c1-2-7-17-13-21-19(11-15(17)5-1)20-12-16-6-3-4-8-18(16)14-22(20)25-10-9-24-23(21)25/h1-14H
InChIKeyDAYDBBQVDQZJCH-UHFFFAOYSA-N
MW318.38 g/mol
LogP5.95
Rot. Bonds

About 12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene

12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene (PubChem CID 155769701) has the molecular formula C23H14N2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene
PubChem CID155769701
Molecular FormulaC23H14N2
Molecular Weight318.38 g/mol
Exact Mass318.12
IUPAC Name12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene
SMILESc1ccc2cc3c(cc2c1)c1cc2ccccc2cc1n1ccnc31
InChIInChI=1S/C23H14N2/c1-2-7-17-13-21-19(11-15(17)5-1)20-12-16-6-3-4-8-18(16)14-22(20)25-10-9-24-23(21)25/h1-14H
InChIKeyDAYDBBQVDQZJCH-UHFFFAOYSA-N
XLogP5.95
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.38
LogP ≤ 55.95
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 12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene with MolForge

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Related Compounds

3,6,8,16-tetrazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene
CID 140948921
7,10-dimethylimidazo[1,2-f]phenanthridine
CID 58943988
imidazo[1,2-f]phenanthridin-7-amine
CID 138528854
3,6-diazapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(13),2,4,7,9,11,14,16,18,20-decaene
CID 58162847
6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine
CID 154610593
17,19,21-triazahexacyclo[12.11.0.03,12.05,10.015,19.020,25]pentacosa-1,3,5,7,9,11,13,15,17,20(25),21,23-dodecaene
CID 140950443
16-phenyl-9-[(16-phenyl-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaen-9-yl)oxy]-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487214
6,7-dimethylimidazo[1,2-f]phenanthridin-11-ol
CID 135379703
11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine
CID 135379707
11-imidazo[1,2-f]phenanthridin-11-yloxy-2,3-dimethylimidazo[1,2-f]phenanthridine
CID 163873412
18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene
CID 159099860
18,28-diphenyl-5,8,12,18,28-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene
CID 157379128

Frequently Asked Questions

What is the IUPAC name of 12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene?
The IUPAC name of 12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene (CID 155769701) is 12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene.
What is the SMILES notation for 12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene?
The canonical SMILES for 12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene is c1ccc2cc3c(cc2c1)c1cc2ccccc2cc1n1ccnc31.
What is the InChIKey of 12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene?
The InChIKey is DAYDBBQVDQZJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2/c1-2-7-17-13-21-19(11-15(17)5-1)20-12-16-6-3-4-8-18(16)14-22(20)25-10-9-24-23(21)25/h1-14H.
What are the key properties of 12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene?
12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene has a molecular weight of 318.38 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene is sourced from PubChem (CID 155769701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).