2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine

C43H27N3S — CID 170183330

IUPAC2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4c5c(cccc35)-c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3S4)c2)cc1
InChIInChI=1S/C43H27N3S/c1-4-13-28(14-5-1)31-19-10-20-32(27-31)33-25-26-38-39-34(33)21-11-22-35(39)36-23-12-24-37(40(36)47-38)43-45-41(29-15-6-2-7-16-29)44-42(46-43)30-17-8-3-9-18-30/h1-27H
InChIKeyGMLSMQVZSUXQFY-UHFFFAOYSA-N
MW617.78 g/mol
LogP11.49
Rot. Bonds5

About 2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine

2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine (PubChem CID 170183330) has the molecular formula C43H27N3S and a molecular weight of 617.78 g/mol. Its IUPAC name is 2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine
PubChem CID170183330
Molecular FormulaC43H27N3S
Molecular Weight617.78 g/mol
Exact Mass617.19
IUPAC Name2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4c5c(cccc35)-c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3S4)c2)cc1
InChIInChI=1S/C43H27N3S/c1-4-13-28(14-5-1)31-19-10-20-32(27-31)33-25-26-38-39-34(33)21-11-22-35(39)36-23-12-24-37(40(36)47-38)43-45-41(29-15-6-2-7-16-29)44-42(46-43)30-17-8-3-9-18-30/h1-27H
InChIKeyGMLSMQVZSUXQFY-UHFFFAOYSA-N
XLogP11.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.78
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine with MolForge

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Related Compounds

9-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-3-phenylcarbazole
CID 170183305
4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl]-9-phenylcarbazole
CID 170183419
2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155429636
2,4-bis(3-phenylphenyl)-6-(26-thiaheptacyclo[25.8.0.02,7.08,13.014,19.020,25.028,33]pentatriaconta-1(27),2(7),3,5,8,10,12,14,16,18,20,22,24,28,30,32,34-heptadecaen-4-yl)-1,3,5-triazine
CID 134571975
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16(24),17,19,21-undecaene
CID 164714203
4-dibenzofuran-2-yl-2-[4-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170183433
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
2-[4-[4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)phenyl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942596
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-dibenzothiophen-4-yl-4-[4-(3-phenylphenyl)naphthalen-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481333
2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 157180464

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine (CID 170183330) is 2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc4c5c(cccc35)-c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3S4)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine?
The InChIKey is GMLSMQVZSUXQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3S/c1-4-13-28(14-5-1)31-19-10-20-32(27-31)33-25-26-38-39-34(33)21-11-22-35(39)36-23-12-24-37(40(36)47-38)43-45-41(29-15-6-2-7-16-29)44-42(46-43)30-17-8-3-9-18-30/h1-27H.
What are the key properties of 2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine?
2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine has a molecular weight of 617.78 g/mol, XLogP of 11.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[12-(3-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl]-1,3,5-triazine is sourced from PubChem (CID 170183330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).