1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine

C135H84N30 — CID 158822062

IUPAC1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc2c(c1)ccn2-c1ccc2ccc(-c3nc(-c4ccc5ccc(-n6ccc7ccccc76)cc5c4)nc(-c4ccc5ccc(-n6ccc7ccccc76)cc5c4)n3)cc2c1.c1cn(-c2ccc3ccc(-c4nc(-c5ccc6ccc(-n7ccnn7)cc6c5)nc(-c5ccc6ccc(-n7ccnn7)cc6c5)n4)cc3c2)nn1.c1ncn(-c2ccc3ccc(-c4nc(-c5ccc6ccc(-n7cncn7)cc6c5)nc(-c5ccc6ccc(-n7cncn7)cc6c5)n4)cc3c2)n1
InChIInChI=1S/C57H36N6.2C39H24N12/c1-4-10-52-40(7-1)25-28-61(52)49-22-19-37-13-16-43(31-46(37)34-49)55-58-56(44-17-14-38-20-23-50(35-47(38)32-44)62-29-26-41-8-2-5-11-53(41)62)60-57(59-55)45-18-15-39-21-24-51(36-48(39)33-45)63-30-27-42-9-3-6-12-54(42)63;1-4-28(13-31-16-34(10-7-25(1)31)49-22-40-19-43-49)37-46-38(29-5-2-26-8-11-35(17-32(26)14-29)50-23-41-20-44-50)48-39(47-37)30-6-3-27-9-12-36(18-33(27)15-30)51-24-42-21-45-51;1-4-28(19-31-22-34(10-7-25(1)31)49-16-13-40-46-49)37-43-38(29-5-2-26-8-11-35(23-32(26)20-29)50-17-14-41-47-50)45-39(44-37)30-6-3-27-9-12-36(24-33(27)21-30)51-18-15-42-48-51/h1-36H;2*1-24H
InChIKeyIVZNCBNINOLOLW-UHFFFAOYSA-N
MW2126.37 g/mol
LogP28.31
Rot. Bonds18

About 1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine

1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine (PubChem CID 158822062) has the molecular formula C135H84N30 and a molecular weight of 2126.37 g/mol. Its IUPAC name is 1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine
PubChem CID158822062
Molecular FormulaC135H84N30
Molecular Weight2126.37 g/mol
Exact Mass2124.75
IUPAC Name1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc2c(c1)ccn2-c1ccc2ccc(-c3nc(-c4ccc5ccc(-n6ccc7ccccc76)cc5c4)nc(-c4ccc5ccc(-n6ccc7ccccc76)cc5c4)n3)cc2c1.c1cn(-c2ccc3ccc(-c4nc(-c5ccc6ccc(-n7ccnn7)cc6c5)nc(-c5ccc6ccc(-n7ccnn7)cc6c5)n4)cc3c2)nn1.c1ncn(-c2ccc3ccc(-c4nc(-c5ccc6ccc(-n7cncn7)cc6c5)nc(-c5ccc6ccc(-n7cncn7)cc6c5)n4)cc3c2)n1
InChIInChI=1S/C57H36N6.2C39H24N12/c1-4-10-52-40(7-1)25-28-61(52)49-22-19-37-13-16-43(31-46(37)34-49)55-58-56(44-17-14-38-20-23-50(35-47(38)32-44)62-29-26-41-8-2-5-11-53(41)62)60-57(59-55)45-18-15-39-21-24-51(36-48(39)33-45)63-30-27-42-9-3-6-12-54(42)63;1-4-28(13-31-16-34(10-7-25(1)31)49-22-40-19-43-49)37-46-38(29-5-2-26-8-11-35(17-32(26)14-29)50-23-41-20-44-50)48-39(47-37)30-6-3-27-9-12-36(18-33(27)15-30)51-24-42-21-45-51;1-4-28(19-31-22-34(10-7-25(1)31)49-16-13-40-46-49)37-43-38(29-5-2-26-8-11-35(23-32(26)20-29)50-17-14-41-47-50)45-39(44-37)30-6-3-27-9-12-36(24-33(27)21-30)51-18-15-42-48-51/h1-36H;2*1-24H
InChIKeyIVZNCBNINOLOLW-UHFFFAOYSA-N
XLogP28.31
TPSA315.06 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002126.37
LogP ≤ 528.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 174727422
1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole
CID 175284463
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole
CID 146933083
2-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine
CID 123257691
13-(3-indol-1-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 151443133
CID 71178605
CID 71178605
9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167052622
5-phenyl-11-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indolo[3,2-b]carbazole
CID 155240719
1-(3-bromo-4-methoxyphenyl)indole
CID 175262004
1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole
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Frequently Asked Questions

What is the IUPAC name of 1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine (CID 158822062) is 1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine is c1ccc2c(c1)ccn2-c1ccc2ccc(-c3nc(-c4ccc5ccc(-n6ccc7ccccc76)cc5c4)nc(-c4ccc5ccc(-n6ccc7ccccc76)cc5c4)n3)cc2c1.c1cn(-c2ccc3ccc(-c4nc(-c5ccc6ccc(-n7ccnn7)cc6c5)nc(-c5ccc6ccc(-n7ccnn7)cc6c5)n4)cc3c2)nn1.c1ncn(-c2ccc3ccc(-c4nc(-c5ccc6ccc(-n7cncn7)cc6c5)nc(-c5ccc6ccc(-n7cncn7)cc6c5)n4)cc3c2)n1.
What is the InChIKey of 1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is IVZNCBNINOLOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6.2C39H24N12/c1-4-10-52-40(7-1)25-28-61(52)49-22-19-37-13-16-43(31-46(37)34-49)55-58-56(44-17-14-38-20-23-50(35-47(38)32-44)62-29-26-41-8-2-5-11-53(41)62)60-57(59-55)45-18-15-39-21-24-51(36-48(39)33-45)63-30-27-42-9-3-6-12-54(42)63;1-4-28(13-31-16-34(10-7-25(1)31)49-22-40-19-43-49)37-46-38(29-5-2-26-8-11-35(17-32(26)14-29)50-23-41-20-44-50)48-39(47-37)30-6-3-27-9-12-36(18-33(27)15-30)51-24-42-21-45-51;1-4-28(19-31-22-34(10-7-25(1)31)49-16-13-40-46-49)37-43-38(29-5-2-26-8-11-35(23-32(26)20-29)50-17-14-41-47-50)45-39(44-37)30-6-3-27-9-12-36(24-33(27)21-30)51-18-15-42-48-51/h1-36H;2*1-24H.
What are the key properties of 1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine?
1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 2126.37 g/mol, XLogP of 28.31, 18 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 158822062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).