15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

C25H16N4 — CID 126682747

IUPAC15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESc1ccc(-c2cc3c4c(cccc4c2)N(c2ccncc2)c2cncnc2-3)cc1
InChIInChI=1S/C25H16N4/c1-2-5-17(6-3-1)19-13-18-7-4-8-22-24(18)21(14-19)25-23(15-27-16-28-25)29(22)20-9-11-26-12-10-20/h1-16H
InChIKeyXTDQGPQKVBAMOR-UHFFFAOYSA-N
MW372.43 g/mol
LogP6.14
Rot. Bonds2

About 15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (PubChem CID 126682747) has the molecular formula C25H16N4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

Molecular Properties

Compound Name15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
PubChem CID126682747
Molecular FormulaC25H16N4
Molecular Weight372.43 g/mol
Exact Mass372.14
IUPAC Name15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESc1ccc(-c2cc3c4c(cccc4c2)N(c2ccncc2)c2cncnc2-3)cc1
InChIInChI=1S/C25H16N4/c1-2-5-17(6-3-1)19-13-18-7-4-8-22-24(18)21(14-19)25-23(15-27-16-28-25)29(22)20-9-11-26-12-10-20/h1-16H
InChIKeyXTDQGPQKVBAMOR-UHFFFAOYSA-N
XLogP6.14
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene with MolForge

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Related Compounds

15-phenyl-8-(9-phenylcarbazol-3-yl)-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 126682733
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-4,6,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 126682827
8-(4-carbazol-9-ylphenyl)-15-phenyl-4,6,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 126682675
15-phenyl-8-[3-(3-triphenylen-2-ylphenyl)phenyl]-3,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
CID 126682892
8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 144995361
8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
CID 126682905
15-phenyl-8-(9-phenylcarbazol-3-yl)-4,6,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 126682730
8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
CID 126682860
16,22-bis(4-phenylphenyl)-19-pyrimidin-4-yl-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4,6,8,10,12,14,17,19,21(37),23,25,27,29,31,33,35-heptadecaene
CID 169073126
8,14-bis(4-phenylphenyl)-11-pyrimidin-4-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 164941455
4-(4-fluoranthen-2-ylphenyl)pyridine
CID 130295099
12,18-bis(3,5-diphenylphenyl)-15-pyridin-4-yl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
CID 169073093

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The IUPAC name of 15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (CID 126682747) is 15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.
What is the SMILES notation for 15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The canonical SMILES for 15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is c1ccc(-c2cc3c4c(cccc4c2)N(c2ccncc2)c2cncnc2-3)cc1.
What is the InChIKey of 15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The InChIKey is XTDQGPQKVBAMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4/c1-2-5-17(6-3-1)19-13-18-7-4-8-22-24(18)21(14-19)25-23(15-27-16-28-25)29(22)20-9-11-26-12-10-20/h1-16H.
What are the key properties of 15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene has a molecular weight of 372.43 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-8-pyridin-4-yl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is sourced from PubChem (CID 126682747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).