12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene

C24H14N4 — CID 24766544

IUPAC12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc4nnnc5ccc2c3c54)cc1
InChIInChI=1S/C24H14N4/c1-3-7-15(8-4-1)23-17-11-13-19-22-20(27-28-26-19)14-12-18(21(17)22)24(25-23)16-9-5-2-6-10-16/h1-14H
InChIKeyUSESALUIDIYPRC-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.50
Rot. Bonds2

About 12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene

12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene (PubChem CID 24766544) has the molecular formula C24H14N4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene.

Molecular Properties

Compound Name12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
PubChem CID24766544
Molecular FormulaC24H14N4
Molecular Weight358.40 g/mol
Exact Mass358.12
IUPAC Name12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc4nnnc5ccc2c3c54)cc1
InChIInChI=1S/C24H14N4/c1-3-7-15(8-4-1)23-17-11-13-19-22-20(27-28-26-19)14-12-18(21(17)22)24(25-23)16-9-5-2-6-10-16/h1-14H
InChIKeyUSESALUIDIYPRC-UHFFFAOYSA-N
XLogP5.50
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene with MolForge

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Related Compounds

6-(3-methylphenyl)-12,14-diphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
CID 45278602
6-(3-butylphenyl)-12,14-diphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
CID 45278517
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 102532372
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3,7-triphenylpyrazino[2,3-k]phenanthridine
CID 164767771
6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol
CID 149095798
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332316
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165382951
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395
2-methyl-4-phenyl-6-(4-phenylphenyl)quinazoline
CID 161216404
19-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 164940105
10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 129037727

Frequently Asked Questions

What is the IUPAC name of 12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
The IUPAC name of 12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene (CID 24766544) is 12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene.
What is the SMILES notation for 12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
The canonical SMILES for 12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene is c1ccc(-c2nc(-c3ccccc3)c3ccc4nnnc5ccc2c3c54)cc1.
What is the InChIKey of 12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
The InChIKey is USESALUIDIYPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4/c1-3-7-15(8-4-1)23-17-11-13-19-22-20(27-28-26-19)14-12-18(21(17)22)24(25-23)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene has a molecular weight of 358.40 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,14-diphenyl-5,6,7,13-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene is sourced from PubChem (CID 24766544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).