4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene

C24H15N5 — CID 163388345

IUPAC4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3ncn4c5ccccc5nc4c3n2)cc1
InChIInChI=1S/C24H15N5/c1-3-9-16(10-4-1)20-21-22(28-23(27-20)17-11-5-2-6-12-17)24-26-18-13-7-8-14-19(18)29(24)15-25-21/h1-15H
InChIKeyOOXDWLIWISKFNS-UHFFFAOYSA-N
MW373.42 g/mol
LogP5.16
Rot. Bonds2

About 4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene

4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene (PubChem CID 163388345) has the molecular formula C24H15N5 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene.

Molecular Properties

Compound Name4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene
PubChem CID163388345
Molecular FormulaC24H15N5
Molecular Weight373.42 g/mol
Exact Mass373.13
IUPAC Name4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3ncn4c5ccccc5nc4c3n2)cc1
InChIInChI=1S/C24H15N5/c1-3-9-16(10-4-1)20-21-22(28-23(27-20)17-11-5-2-6-12-17)24-26-18-13-7-8-14-19(18)29(24)15-25-21/h1-15H
InChIKeyOOXDWLIWISKFNS-UHFFFAOYSA-N
XLogP5.16
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene with MolForge

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Launch Full Analysis

Related Compounds

4,6-diphenyl-3,5,10,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene
CID 163388415
10,12-diphenyl-9,11,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 163388356
3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile
CID 15113967
3-(2-phenylethyl)benzimidazolo[2,1-f]purine
CID 134852122
9-benzyl-2,6-diphenylpurine
CID 15499193
3-butylbenzimidazolo[2,1-f]purine
CID 134852737
3-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 163388243
(2R,3R,4S,5R)-2-(2,6-diphenylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11058553
1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole
CID 155140715
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180197
2,4,6,8-tetraphenylquinazoline
CID 143301080

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene?
The IUPAC name of 4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene (CID 163388345) is 4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene.
What is the SMILES notation for 4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene?
The canonical SMILES for 4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene is c1ccc(-c2nc(-c3ccccc3)c3ncn4c5ccccc5nc4c3n2)cc1.
What is the InChIKey of 4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene?
The InChIKey is OOXDWLIWISKFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N5/c1-3-9-16(10-4-1)20-21-22(28-23(27-20)17-11-5-2-6-12-17)24-26-18-13-7-8-14-19(18)29(24)15-25-21/h1-15H.
What are the key properties of 4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene?
4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene has a molecular weight of 373.42 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene is sourced from PubChem (CID 163388345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).