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

C25H16N4 — CID 163388415

IUPAC4,6-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
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccn4c5ccccc5nc4c3n2)cc1
InChIInChI=1S/C25H16N4/c1-3-9-17(10-4-1)22-19-15-16-29-21-14-8-7-13-20(21)26-25(29)23(19)28-24(27-22)18-11-5-2-6-12-18/h1-16H
InChIKeyCNEPQQBSDWFMTB-UHFFFAOYSA-N
MW372.43 g/mol
LogP5.76
Rot. Bonds2

About 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

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 (PubChem CID 163388415) has the molecular formula C25H16N4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,6-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
PubChem CID163388415
Molecular FormulaC25H16N4
Molecular Weight372.43 g/mol
Exact Mass372.14
IUPAC Name4,6-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
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccn4c5ccccc5nc4c3n2)cc1
InChIInChI=1S/C25H16N4/c1-3-9-17(10-4-1)22-19-15-16-29-21-14-8-7-13-20(21)26-25(29)23(19)28-24(27-22)18-11-5-2-6-12-18/h1-16H
InChIKeyCNEPQQBSDWFMTB-UHFFFAOYSA-N
XLogP5.76
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene
CID 153391235
4-phenyl-2-(3,10,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-20-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 153391188
8-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392981
benzimidazolo[2,1-a]isoquinoline;ethane
CID 156745272
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
2,4,6,8-tetraphenylquinazoline
CID 143301080
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180197
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
3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine
CID 70652136
24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
CID 142565516

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)c3ccn4c5ccccc5nc4c3n2)cc1.
What is the InChIKey of 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?
The InChIKey is CNEPQQBSDWFMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4/c1-3-9-17(10-4-1)22-19-15-16-29-21-14-8-7-13-20(21)26-25(29)23(19)28-24(27-22)18-11-5-2-6-12-18/h1-16H.
What are the key properties of 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?
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 has a molecular weight of 372.43 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163388415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).