2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine

C43H25N3S — CID 166846728

IUPAC2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4cc6c7c(cccc7c45)-c4ccccc4-6)n3)cc2)cc1
InChIInChI=1S/C43H25N3S/c1-3-11-26(12-4-1)27-21-23-29(24-22-27)42-44-41(28-13-5-2-6-14-28)45-43(46-42)35-20-10-19-34-39-33-18-9-17-32-30-15-7-8-16-31(30)36(38(32)33)25-37(39)47-40(34)35/h1-25H
InChIKeyQGZAZVMDCGUOEL-UHFFFAOYSA-N
MW615.76 g/mol
LogP11.71
Rot. Bonds4

About 2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine

2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine (PubChem CID 166846728) has the molecular formula C43H25N3S and a molecular weight of 615.76 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine
PubChem CID166846728
Molecular FormulaC43H25N3S
Molecular Weight615.76 g/mol
Exact Mass615.18
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4cc6c7c(cccc7c45)-c4ccccc4-6)n3)cc2)cc1
InChIInChI=1S/C43H25N3S/c1-3-11-26(12-4-1)27-21-23-29(24-22-27)42-44-41(28-13-5-2-6-14-28)45-43(46-42)35-20-10-19-34-39-33-18-9-17-32-30-15-7-8-16-31(30)36(38(32)33)25-37(39)47-40(34)35/h1-25H
InChIKeyQGZAZVMDCGUOEL-UHFFFAOYSA-N
XLogP11.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.76
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-yl)-1,3,5-triazine
CID 166846572
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine
CID 163993673
2,4-diphenyl-6-[9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 155328757
2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164707411
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027
2-phenyl-4-[9-(4-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200044
2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 155328889
2-[4-[6-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 160642512
2,4-diphenyl-6-[9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 170202059
2-phenyl-4-[9-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200058
2-[4-[3-(7,9-diphenyldibenzothiophen-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164838372

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine (CID 166846728) is 2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4cc6c7c(cccc7c45)-c4ccccc4-6)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine?
The InChIKey is QGZAZVMDCGUOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3S/c1-3-11-26(12-4-1)27-21-23-29(24-22-27)42-44-41(28-13-5-2-6-14-28)45-43(46-42)35-20-10-19-34-39-33-18-9-17-32-30-15-7-8-16-31(30)36(38(32)33)25-37(39)47-40(34)35/h1-25H.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine has a molecular weight of 615.76 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine is sourced from PubChem (CID 166846728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).