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

C35H22N6 — CID 126682827

IUPAC15-(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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5c(cccc5c3)N(c3ccccc3)c3ncncc3-4)n2)cc1
InChIInChI=1S/C35H22N6/c1-4-11-23(12-5-1)32-38-33(24-13-6-2-7-14-24)40-34(39-32)26-19-25-15-10-18-30-31(25)28(20-26)29-21-36-22-37-35(29)41(30)27-16-8-3-9-17-27/h1-22H
InChIKeyWKLLNCWRGWRLNK-UHFFFAOYSA-N
MW526.60 g/mol
LogP8.27
Rot. Bonds4

About 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

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 (PubChem CID 126682827) has the molecular formula C35H22N6 and a molecular weight of 526.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-(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
PubChem CID126682827
Molecular FormulaC35H22N6
Molecular Weight526.60 g/mol
Exact Mass526.19
IUPAC Name15-(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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5c(cccc5c3)N(c3ccccc3)c3ncncc3-4)n2)cc1
InChIInChI=1S/C35H22N6/c1-4-11-23(12-5-1)32-38-33(24-13-6-2-7-14-24)40-34(39-32)26-19-25-15-10-18-30-31(25)28(20-26)29-21-36-22-37-35(29)41(30)27-16-8-3-9-17-27/h1-22H
InChIKeyWKLLNCWRGWRLNK-UHFFFAOYSA-N
XLogP8.27
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-(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
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
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
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
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
2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
CID 155404604
5-[2-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 170109616
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenazine
CID 59194569
9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170109684
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-12-oxa-5,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene
CID 163774065
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 123621880

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5c(cccc5c3)N(c3ccccc3)c3ncncc3-4)n2)cc1.
What is the InChIKey of 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?
The InChIKey is WKLLNCWRGWRLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N6/c1-4-11-23(12-5-1)32-38-33(24-13-6-2-7-14-24)40-34(39-32)26-19-25-15-10-18-30-31(25)28(20-26)29-21-36-22-37-35(29)41(30)27-16-8-3-9-17-27/h1-22H.
What are the key properties of 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?
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 has a molecular weight of 526.60 g/mol, XLogP of 8.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126682827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).