2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine

C51H31N3S — CID 166846602

IUPAC2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4cc(-c5ccc6sc7cc8c9c(cccc9c7c6c5)-c5ccccc5-8)ccc34)N=C(c3ccc4ccccc4c3)N2)cc1
InChIInChI=1S/C51H31N3S/c1-2-11-31(12-3-1)49-52-50(36-21-20-30-10-4-5-13-32(30)27-36)54-51(53-49)41-18-8-14-35-26-33(22-24-37(35)41)34-23-25-45-44(28-34)48-42-19-9-17-40-38-15-6-7-16-39(38)43(47(40)42)29-46(48)55-45/h1-29,51H,(H,52,53,54)
InChIKeyXGMDDEASGQNZRB-UHFFFAOYSA-N
MW717.90 g/mol
LogP13.32
Rot. Bonds4

About 2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine

2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine (PubChem CID 166846602) has the molecular formula C51H31N3S and a molecular weight of 717.90 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
PubChem CID166846602
Molecular FormulaC51H31N3S
Molecular Weight717.90 g/mol
Exact Mass717.22
IUPAC Name2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4cc(-c5ccc6sc7cc8c9c(cccc9c7c6c5)-c5ccccc5-8)ccc34)N=C(c3ccc4ccccc4c3)N2)cc1
InChIInChI=1S/C51H31N3S/c1-2-11-31(12-3-1)49-52-50(36-21-20-30-10-4-5-13-32(30)27-36)54-51(53-49)41-18-8-14-35-26-33(22-24-37(35)41)34-23-25-45-44(28-34)48-42-19-9-17-40-38-15-6-7-16-39(38)43(47(40)42)29-46(48)55-45/h1-29,51H,(H,52,53,54)
InChIKeyXGMDDEASGQNZRB-UHFFFAOYSA-N
XLogP13.32
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.90
LogP ≤ 513.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(4-phenylnaphthalen-2-yl)-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-5-yl)-1,4-dihydro-1,3,5-triazine
CID 163527137
2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174328387
4-benzo[g]phenanthren-4-yl-2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170132179
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029289
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029303
2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246449
2-dibenzothiophen-4-yl-6-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 167029654
2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,4-dihydro-1,3,5-triazine
CID 166846555
2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030224
4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029876
4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 167029970
2-chrysen-1-yl-4-dibenzothiophen-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 163690426

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine (CID 166846602) is 2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc4cc(-c5ccc6sc7cc8c9c(cccc9c7c6c5)-c5ccccc5-8)ccc34)N=C(c3ccc4ccccc4c3)N2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is XGMDDEASGQNZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3S/c1-2-11-31(12-3-1)49-52-50(36-21-20-30-10-4-5-13-32(30)27-36)54-51(53-49)41-18-8-14-35-26-33(22-24-37(35)41)34-23-25-45-44(28-34)48-42-19-9-17-40-38-15-6-7-16-39(38)43(47(40)42)29-46(48)55-45/h1-29,51H,(H,52,53,54).
What are the key properties of 2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine?
2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 717.90 g/mol, XLogP of 13.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 166846602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).