4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene

C24H16N4 — CID 144569350

IUPAC4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene
SMILESc1ccc(-c2[nH]c3c(ncc4[nH]c5ncccc5c43)c2-c2ccccc2)cc1
InChIInChI=1S/C24H16N4/c1-3-8-15(9-4-1)19-21(16-10-5-2-6-11-16)28-23-20-17-12-7-13-25-24(17)27-18(20)14-26-22(19)23/h1-14,28H,(H,25,27)
InChIKeyKEDIYNKHUWZOCQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP5.93
Rot. Bonds2

About 4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene

4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene (PubChem CID 144569350) has the molecular formula C24H16N4 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene.

Molecular Properties

Compound Name4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene
PubChem CID144569350
Molecular FormulaC24H16N4
Molecular Weight360.42 g/mol
Exact Mass360.14
IUPAC Name4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene
SMILESc1ccc(-c2[nH]c3c(ncc4[nH]c5ncccc5c43)c2-c2ccccc2)cc1
InChIInChI=1S/C24H16N4/c1-3-8-15(9-4-1)19-21(16-10-5-2-6-11-16)28-23-20-17-12-7-13-25-24(17)27-18(20)14-26-22(19)23/h1-14,28H,(H,25,27)
InChIKeyKEDIYNKHUWZOCQ-UHFFFAOYSA-N
XLogP5.93
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene with MolForge

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Related Compounds

5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene
CID 144569314
1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine
CID 71577885
11-phenyl-6H-indolo[2,3-b][1,5]naphthyridine
CID 10541908
trimethyl-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)silane
CID 86188876
6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 15319205
4-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-3-ol
CID 170762429
4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44548154
8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 134348755
4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
CID 53342844
3,4-diphenyl-5H-pyrido[3,2-b]indole
CID 15355508
6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
CID 45380817
3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine
CID 70942510

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene?
The IUPAC name of 4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene (CID 144569350) is 4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene.
What is the SMILES notation for 4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene?
The canonical SMILES for 4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene is c1ccc(-c2[nH]c3c(ncc4[nH]c5ncccc5c43)c2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene?
The InChIKey is KEDIYNKHUWZOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4/c1-3-8-15(9-4-1)19-21(16-10-5-2-6-11-16)28-23-20-17-12-7-13-25-24(17)27-18(20)14-26-22(19)23/h1-14,28H,(H,25,27).
What are the key properties of 4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene?
4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene has a molecular weight of 360.42 g/mol, XLogP of 5.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene is sourced from PubChem (CID 144569350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).