2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine

C180H102N12O7S4 — CID 158528327

IUPAC2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3cccnc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/3C45H25N3O2S.C45H27N3OS/c1-2-12-26(13-3-1)43-46-44(33-19-11-22-37-39(33)31-15-4-7-20-35(31)49-37)48-45(47-43)34-25-24-28(41-40(34)32-16-5-8-21-36(32)50-41)30-18-10-17-29-27-14-6-9-23-38(27)51-42(29)30;1-2-12-26(13-3-1)43-46-44(48-45(47-43)35-20-10-17-29-27-14-4-7-21-36(27)49-40(29)35)34-25-24-30(41-39(34)33-16-5-8-22-37(33)50-41)32-19-11-18-31-28-15-6-9-23-38(28)51-42(31)32;1-2-11-26(12-3-1)43-46-44(27-21-24-38-35(25-27)28-13-4-7-18-36(28)49-38)48-45(47-43)34-23-22-30(41-40(34)33-15-5-8-19-37(33)50-41)32-17-10-16-31-29-14-6-9-20-39(29)51-42(31)32;1-2-12-28(13-3-1)45-47-38(31-16-5-4-15-30(31)29-14-11-25-46-27-29)26-39(48-45)36-24-23-33(43-42(36)37-18-6-8-21-40(37)49-43)35-20-10-19-34-32-17-7-9-22-41(32)50-44(34)35/h3*1-25H;1-27H
InChIKeyHNBCYXXIQSZKTI-UHFFFAOYSA-N
MW2673.14 g/mol
LogP50.59
Rot. Bonds17

About 2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine

2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine (PubChem CID 158528327) has the molecular formula C180H102N12O7S4 and a molecular weight of 2673.14 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
PubChem CID158528327
Molecular FormulaC180H102N12O7S4
Molecular Weight2673.14 g/mol
Exact Mass2670.69
IUPAC Name2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3cccnc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/3C45H25N3O2S.C45H27N3OS/c1-2-12-26(13-3-1)43-46-44(33-19-11-22-37-39(33)31-15-4-7-20-35(31)49-37)48-45(47-43)34-25-24-28(41-40(34)32-16-5-8-21-36(32)50-41)30-18-10-17-29-27-14-6-9-23-38(27)51-42(29)30;1-2-12-26(13-3-1)43-46-44(48-45(47-43)35-20-10-17-29-27-14-4-7-21-36(27)49-40(29)35)34-25-24-30(41-39(34)33-16-5-8-22-37(33)50-41)32-19-11-18-31-28-15-6-9-23-38(28)51-42(31)32;1-2-11-26(12-3-1)43-46-44(27-21-24-38-35(25-27)28-13-4-7-18-36(28)49-38)48-45(47-43)34-23-22-30(41-40(34)33-15-5-8-19-37(33)50-41)32-17-10-16-31-29-14-6-9-20-39(29)51-42(31)32;1-2-12-28(13-3-1)45-47-38(31-16-5-4-15-30(31)29-14-11-25-46-27-29)26-39(48-45)36-24-23-33(43-42(36)37-18-6-8-21-40(37)49-43)35-20-10-19-34-32-17-7-9-22-41(32)50-44(34)35/h3*1-25H;1-27H
InChIKeyHNBCYXXIQSZKTI-UHFFFAOYSA-N
XLogP50.59
TPSA246.66 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002673.14
LogP ≤ 550.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine with MolForge

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Related Compounds

2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-2-yl)-6-(7-pyridin-3-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 138519473
4-[4-[8-[4-[2-[4-[3-(6-Fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 142336487
2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-1-yl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 149135658
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155096700
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-1-yl)-6-(7-pyridin-3-yldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096731
2-Dibenzofuran-2-yl-4-(4-fluorophenyl)-6-[2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 156341436
3-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-2-ethenylpent-4-enenitrile;4-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-2-methylidenehex-5-enenitrile;tetrakis(2-dibenzofuran-1-yl-4,6-diphenyl-1,3,5-triazine);4-[(5E)-6-fluorohexa-1,5-dien-3-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 157080266
2-[2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]benzonitrile;3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]benzonitrile;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 157631137
(5Z)-5-[[2-[[4-[[2-(1-benzofuran-2-yl)-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[2-(4-fluorophenyl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-pyridin-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[2-[4-(trifluoromethyl)phenyl]phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 157988187
N,N-bis[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;2-(2,6-dimethylphenyl)-7-[3-[3-[2-(2,6-dimethylphenyl)thieno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]thieno[2,3-c]pyridine;tris(platinum(2+))
CID 158307997
3-[2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]benzonitrile;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2-isocyanophenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158951677

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine (CID 158528327) is 2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3cccnc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is HNBCYXXIQSZKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C45H25N3O2S.C45H27N3OS/c1-2-12-26(13-3-1)43-46-44(33-19-11-22-37-39(33)31-15-4-7-20-35(31)49-37)48-45(47-43)34-25-24-28(41-40(34)32-16-5-8-21-36(32)50-41)30-18-10-17-29-27-14-6-9-23-38(27)51-42(29)30;1-2-12-26(13-3-1)43-46-44(48-45(47-43)35-20-10-17-29-27-14-4-7-21-36(27)49-40(29)35)34-25-24-30(41-39(34)33-16-5-8-22-37(33)50-41)32-19-11-18-31-28-15-6-9-23-38(28)51-42(31)32;1-2-11-26(12-3-1)43-46-44(27-21-24-38-35(25-27)28-13-4-7-18-36(28)49-38)48-45(47-43)34-23-22-30(41-40(34)33-15-5-8-19-37(33)50-41)32-17-10-16-31-29-14-6-9-20-39(29)51-42(31)32;1-2-12-28(13-3-1)45-47-38(31-16-5-4-15-30(31)29-14-11-25-46-27-29)26-39(48-45)36-24-23-33(43-42(36)37-18-6-8-21-40(37)49-43)35-20-10-19-34-32-17-7-9-22-41(32)50-44(34)35/h3*1-25H;1-27H.
What are the key properties of 2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine?
2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 2673.14 g/mol, XLogP of 50.59, 17 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 158528327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).