2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine

C162H97N9O4S — CID 161461130

IUPAC2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5cc6oc7ccccc7c6cc45)cc4ccccc34)n2)cc2ccccc12.c1ccc(-c2ccc(-c3nc(-c4cc(-c5cccc6c5oc5ccccc56)c5ccccc5c4)nc(-c4cc(-c5ccc6oc7cc8ccccc8cc7c6c5)cc5ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4cccc5cc(-c6ccc7oc8cc9ccccc9cc8c7c6)ccc45)n3)cc2)cc1
InChIInChI=1S/C63H37N3O2.C53H31N3OS.C46H29N3O/c1-2-13-38(14-3-1)39-25-27-40(28-26-39)61-64-62(47-32-45-18-6-8-19-48(45)53(36-47)52-23-12-22-51-50-21-10-11-24-57(50)68-60(51)52)66-63(65-61)56-35-46(31-44-17-7-9-20-49(44)56)43-29-30-58-54(34-43)55-33-41-15-4-5-16-42(41)37-59(55)67-58;1-2-9-32(10-3-1)33-17-19-34(20-18-33)51-54-52(40-23-26-50-46(30-40)42-14-6-7-16-49(42)58-50)56-53(55-51)43-15-8-13-39-27-37(21-24-41(39)43)38-22-25-47-44(29-38)45-28-35-11-4-5-12-36(35)31-48(45)57-47;1-28-22-34(24-30-14-5-7-17-35(28)30)45-47-44(29-12-3-2-4-13-29)48-46(49-45)41-25-33(23-31-15-6-8-18-36(31)41)37-20-11-16-32-26-43-40(27-39(32)37)38-19-9-10-21-42(38)50-43/h1-37H;1-31H;2-27H,1H3
InChIKeyWBVCUTIRFSTQCN-UHFFFAOYSA-N
MW2265.68 g/mol
LogP44.12
Rot. Bonds15

About 2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine

2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 161461130) has the molecular formula C162H97N9O4S and a molecular weight of 2265.68 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID161461130
Molecular FormulaC162H97N9O4S
Molecular Weight2265.68 g/mol
Exact Mass2263.74
IUPAC Name2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5cc6oc7ccccc7c6cc45)cc4ccccc34)n2)cc2ccccc12.c1ccc(-c2ccc(-c3nc(-c4cc(-c5cccc6c5oc5ccccc56)c5ccccc5c4)nc(-c4cc(-c5ccc6oc7cc8ccccc8cc7c6c5)cc5ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4cccc5cc(-c6ccc7oc8cc9ccccc9cc8c7c6)ccc45)n3)cc2)cc1
InChIInChI=1S/C63H37N3O2.C53H31N3OS.C46H29N3O/c1-2-13-38(14-3-1)39-25-27-40(28-26-39)61-64-62(47-32-45-18-6-8-19-48(45)53(36-47)52-23-12-22-51-50-21-10-11-24-57(50)68-60(51)52)66-63(65-61)56-35-46(31-44-17-7-9-20-49(44)56)43-29-30-58-54(34-43)55-33-41-15-4-5-16-42(41)37-59(55)67-58;1-2-9-32(10-3-1)33-17-19-34(20-18-33)51-54-52(40-23-26-50-46(30-40)42-14-6-7-16-49(42)58-50)56-53(55-51)43-15-8-13-39-27-37(21-24-41(39)43)38-22-25-47-44(29-38)45-28-35-11-4-5-12-36(35)31-48(45)57-47;1-28-22-34(24-30-14-5-7-17-35(28)30)45-47-44(29-12-3-2-4-13-29)48-46(49-45)41-25-33(23-31-15-6-8-18-36(31)41)37-20-11-16-32-26-43-40(27-39(32)37)38-19-9-10-21-42(38)50-43/h1-37H;1-31H;2-27H,1H3
InChIKeyWBVCUTIRFSTQCN-UHFFFAOYSA-N
XLogP44.12
TPSA168.57 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002265.68
LogP ≤ 544.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(3-naphtho[2,3-b][1]benzofuran-9-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphtho[3,2-b][1]benzofuran-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162105270
2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168730357
2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157489549
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-6-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(3,5-diphenylphenyl)-6-naphtho[2,3-b][1]benzofuran-9-yl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163969466
2-dibenzofuran-2-yl-4-(3-naphthalen-1-yl-5-phenylphenyl)-6-(7-naphtho[3,2-b][1]benzofuran-11-ylnaphthalen-2-yl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-naphtho[7,6-b][1]benzofuran-7-ylnaphthalen-2-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-(7-naphtho[2,3-b][1]benzofuran-9-ylnaphthalen-2-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163996740
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(5-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(7-naphtho[1,2-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(7-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 163736359
2,4-dinaphthalen-1-yl-6-[8-(5-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-[9-(3-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[8-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 164978875
2-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 166009417
2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509581
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-4-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163481870
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-[4-[2-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[2-[4-[6-(2-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 158343645

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine (CID 161461130) is 2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine is Cc1cc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5cc6oc7ccccc7c6cc45)cc4ccccc34)n2)cc2ccccc12.c1ccc(-c2ccc(-c3nc(-c4cc(-c5cccc6c5oc5ccccc56)c5ccccc5c4)nc(-c4cc(-c5ccc6oc7cc8ccccc8cc7c6c5)cc5ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4cccc5cc(-c6ccc7oc8cc9ccccc9cc8c7c6)ccc45)n3)cc2)cc1.
What is the InChIKey of 2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is WBVCUTIRFSTQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N3O2.C53H31N3OS.C46H29N3O/c1-2-13-38(14-3-1)39-25-27-40(28-26-39)61-64-62(47-32-45-18-6-8-19-48(45)53(36-47)52-23-12-22-51-50-21-10-11-24-57(50)68-60(51)52)66-63(65-61)56-35-46(31-44-17-7-9-20-49(44)56)43-29-30-58-54(34-43)55-33-41-15-4-5-16-42(41)37-59(55)67-58;1-2-9-32(10-3-1)33-17-19-34(20-18-33)51-54-52(40-23-26-50-46(30-40)42-14-6-7-16-49(42)58-50)56-53(55-51)43-15-8-13-39-27-37(21-24-41(39)43)38-22-25-47-44(29-38)45-28-35-11-4-5-12-36(35)31-48(45)57-47;1-28-22-34(24-30-14-5-7-17-35(28)30)45-47-44(29-12-3-2-4-13-29)48-46(49-45)41-25-33(23-31-15-6-8-18-36(31)41)37-20-11-16-32-26-43-40(27-39(32)37)38-19-9-10-21-42(38)50-43/h1-37H;1-31H;2-27H,1H3.
What are the key properties of 2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 2265.68 g/mol, XLogP of 44.12, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylnaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-methylnaphthalen-2-yl)-4-(3-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 161461130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).