2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine

C197H126N20O4S4 — CID 159773168

IUPAC2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESC.C1=CC(c2nc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)ccc34)c3sc4ccccc4c3n2)=CCC1.C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)ccc3OC2C(c2nc(-c3ccccc3)nc3c2sc2ccccc23)=C1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)c45)n3)c2)cc1.c1ccc(-c2ncc3sc4ccccc4c3n2)cc1
InChIInChI=1S/C49H29N5OS.2C49H31N5OS.C33H21N3O.C16H10N2S.CH4/c1-4-15-30(16-5-1)33-21-12-22-34(29-33)48-52-47(32-19-8-3-9-20-32)53-49(54-48)38-26-13-25-37-41-36(24-14-27-39(41)55-44(37)38)43-45-42(35-23-10-11-28-40(35)56-45)50-46(51-43)31-17-6-2-7-18-31;1-4-14-30(15-5-1)33-20-12-21-34(28-33)48-52-47(32-18-8-3-9-19-32)53-49(54-48)35-26-27-36-37-23-13-24-39(44(37)55-40(36)29-35)43-45-42(38-22-10-11-25-41(38)56-45)50-46(51-43)31-16-6-2-7-17-31;1-4-14-30(15-5-1)33-20-12-21-34(28-33)48-52-47(32-18-8-3-9-19-32)53-49(54-48)35-26-27-40-39(29-35)36-23-13-24-38(44(36)55-40)43-45-42(37-22-10-11-25-41(37)56-45)50-46(51-43)31-16-6-2-7-17-31;1-3-10-22(11-4-1)24-14-9-15-25(20-24)32-34-31(23-12-5-2-6-13-23)35-33(36-32)26-18-19-28-27-16-7-8-17-29(27)37-30(28)21-26;1-2-6-11(7-3-1)16-17-10-14-15(18-16)12-8-4-5-9-13(12)19-14;/h1-29H;1,3-6,8-29H,2,7H2;1-29,36,44H;1-21H;1-10H;1H4
InChIKeyNGJOINLCVIPHLR-UHFFFAOYSA-N
MW2965.58 g/mol
LogP51.38
Rot. Bonds23

About 2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine

2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 159773168) has the molecular formula C197H126N20O4S4 and a molecular weight of 2965.58 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID159773168
Molecular FormulaC197H126N20O4S4
Molecular Weight2965.58 g/mol
Exact Mass2962.92
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESC.C1=CC(c2nc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)ccc34)c3sc4ccccc4c3n2)=CCC1.C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)ccc3OC2C(c2nc(-c3ccccc3)nc3c2sc2ccccc23)=C1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)c45)n3)c2)cc1.c1ccc(-c2ncc3sc4ccccc4c3n2)cc1
InChIInChI=1S/C49H29N5OS.2C49H31N5OS.C33H21N3O.C16H10N2S.CH4/c1-4-15-30(16-5-1)33-21-12-22-34(29-33)48-52-47(32-19-8-3-9-20-32)53-49(54-48)38-26-13-25-37-41-36(24-14-27-39(41)55-44(37)38)43-45-42(35-23-10-11-28-40(35)56-45)50-46(51-43)31-17-6-2-7-18-31;1-4-14-30(15-5-1)33-20-12-21-34(28-33)48-52-47(32-18-8-3-9-19-32)53-49(54-48)35-26-27-36-37-23-13-24-39(44(37)55-40(36)29-35)43-45-42(38-22-10-11-25-41(38)56-45)50-46(51-43)31-16-6-2-7-17-31;1-4-14-30(15-5-1)33-20-12-21-34(28-33)48-52-47(32-18-8-3-9-19-32)53-49(54-48)35-26-27-40-39(29-35)36-23-13-24-38(44(36)55-40)43-45-42(37-22-10-11-25-41(37)56-45)50-46(51-43)31-16-6-2-7-17-31;1-3-10-22(11-4-1)24-14-9-15-25(20-24)32-34-31(23-12-5-2-6-13-23)35-33(36-32)26-18-19-28-27-16-7-8-17-29(27)37-30(28)21-26;1-2-6-11(7-3-1)16-17-10-14-15(18-16)12-8-4-5-9-13(12)19-14;/h1-29H;1,3-6,8-29H,2,7H2;1-29,36,44H;1-21H;1-10H;1H4
InChIKeyNGJOINLCVIPHLR-UHFFFAOYSA-N
XLogP51.38
TPSA306.45 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002965.58
LogP ≤ 551.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine (CID 159773168) is 2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine is C.C1=CC(c2nc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)ccc34)c3sc4ccccc4c3n2)=CCC1.C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)ccc3OC2C(c2nc(-c3ccccc3)nc3c2sc2ccccc23)=C1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)c45)n3)c2)cc1.c1ccc(-c2ncc3sc4ccccc4c3n2)cc1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is NGJOINLCVIPHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5OS.2C49H31N5OS.C33H21N3O.C16H10N2S.CH4/c1-4-15-30(16-5-1)33-21-12-22-34(29-33)48-52-47(32-19-8-3-9-20-32)53-49(54-48)38-26-13-25-37-41-36(24-14-27-39(41)55-44(37)38)43-45-42(35-23-10-11-28-40(35)56-45)50-46(51-43)31-17-6-2-7-18-31;1-4-14-30(15-5-1)33-20-12-21-34(28-33)48-52-47(32-18-8-3-9-19-32)53-49(54-48)35-26-27-36-37-23-13-24-39(44(37)55-40(36)29-35)43-45-42(38-22-10-11-25-41(38)56-45)50-46(51-43)31-16-6-2-7-17-31;1-4-14-30(15-5-1)33-20-12-21-34(28-33)48-52-47(32-18-8-3-9-19-32)53-49(54-48)35-26-27-40-39(29-35)36-23-13-24-38(44(36)55-40)43-45-42(37-22-10-11-25-41(37)56-45)50-46(51-43)31-16-6-2-7-17-31;1-3-10-22(11-4-1)24-14-9-15-25(20-24)32-34-31(23-12-5-2-6-13-23)35-33(36-32)26-18-19-28-27-16-7-8-17-29(27)37-30(28)21-26;1-2-6-11(7-3-1)16-17-10-14-15(18-16)12-8-4-5-9-13(12)19-14;/h1-29H;1,3-6,8-29H,2,7H2;1-29,36,44H;1-21H;1-10H;1H4.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine?
2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2965.58 g/mol, XLogP of 51.38, 23 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 159773168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).