bis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine

C185H117N11O3S — CID 159354429

IUPACbis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(-c2nc(-c3cc4c(cc3-c3ccncc3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3cc4c(cc3-c3ccncc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc3c2oc2ccccc23)cc1.c1ccc(-c2nc(-c3cc4c(cc3-c3ccncc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C47H30N2O.2C46H29N3O.C46H29N3S/c1-5-17-31(18-6-1)37-29-38-35-25-13-15-27-40(35)47(33-21-9-3-10-22-33,34-23-11-4-12-24-34)41(38)30-39(37)46-48-43(32-19-7-2-8-20-32)45-44(49-46)36-26-14-16-28-42(36)50-45;2*1-4-14-31(15-5-1)42-44-43(35-21-11-13-23-41(35)50-44)49-45(48-42)38-28-37-34-20-10-12-22-39(34)46(32-16-6-2-7-17-32,33-18-8-3-9-19-33)40(37)29-36(38)30-24-26-47-27-25-30;1-4-14-31(15-5-1)42-44-43(35-21-11-13-23-41(35)50-44)49-45(48-42)38-29-40-37(28-36(38)30-24-26-47-27-25-30)34-20-10-12-22-39(34)46(40,32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-30H;3*1-29H
InChIKeyLHTANRJRCGVIOP-UHFFFAOYSA-N
MW2574.11 g/mol
LogP45.61
Rot. Bonds20

About bis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine

bis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 159354429) has the molecular formula C185H117N11O3S and a molecular weight of 2574.11 g/mol. Its IUPAC name is bis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Namebis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID159354429
Molecular FormulaC185H117N11O3S
Molecular Weight2574.11 g/mol
Exact Mass2571.91
IUPAC Namebis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(-c2nc(-c3cc4c(cc3-c3ccncc3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3cc4c(cc3-c3ccncc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc3c2oc2ccccc23)cc1.c1ccc(-c2nc(-c3cc4c(cc3-c3ccncc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C47H30N2O.2C46H29N3O.C46H29N3S/c1-5-17-31(18-6-1)37-29-38-35-25-13-15-27-40(35)47(33-21-9-3-10-22-33,34-23-11-4-12-24-34)41(38)30-39(37)46-48-43(32-19-7-2-8-20-32)45-44(49-46)36-26-14-16-28-42(36)50-45;2*1-4-14-31(15-5-1)42-44-43(35-21-11-13-23-41(35)50-44)49-45(48-42)38-28-37-34-20-10-12-22-39(34)46(32-16-6-2-7-17-32,33-18-8-3-9-19-33)40(37)29-36(38)30-24-26-47-27-25-30;1-4-14-31(15-5-1)42-44-43(35-21-11-13-23-41(35)50-44)49-45(48-42)38-29-40-37(28-36(38)30-24-26-47-27-25-30)34-20-10-12-22-39(34)46(40,32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-30H;3*1-29H
InChIKeyLHTANRJRCGVIOP-UHFFFAOYSA-N
XLogP45.61
TPSA181.21 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002574.11
LogP ≤ 545.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze bis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

bis(4-phenyl-2-(2,9,9-triphenylfluoren-3-yl)-[1]benzofuro[3,2-d]pyrimidine);bis(4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine)
CID 161102117
4-(3-phenylphenyl)-2-(2,9,9-triphenylfluoren-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 146367769
2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 146367774
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 146367813
2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 155465469
2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 146367964
2-(4-phenylphenyl)-4-[3-[2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158895567
2-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 164707897
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978761
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(9,9-dimethylfluoren-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 149315249
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 162059090
2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 146367757

Frequently Asked Questions

What is the IUPAC name of bis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of bis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 159354429) is bis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for bis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for bis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(-c2nc(-c3cc4c(cc3-c3ccncc3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3cc4c(cc3-c3ccncc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc3c2oc2ccccc23)cc1.c1ccc(-c2nc(-c3cc4c(cc3-c3ccncc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc3c2oc2ccccc23)cc1.
What is the InChIKey of bis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is LHTANRJRCGVIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O.2C46H29N3O.C46H29N3S/c1-5-17-31(18-6-1)37-29-38-35-25-13-15-27-40(35)47(33-21-9-3-10-22-33,34-23-11-4-12-24-34)41(38)30-39(37)46-48-43(32-19-7-2-8-20-32)45-44(49-46)36-26-14-16-28-42(36)50-45;2*1-4-14-31(15-5-1)42-44-43(35-21-11-13-23-41(35)50-44)49-45(48-42)38-28-37-34-20-10-12-22-39(34)46(32-16-6-2-7-17-32,33-18-8-3-9-19-33)40(37)29-36(38)30-24-26-47-27-25-30;1-4-14-31(15-5-1)42-44-43(35-21-11-13-23-41(35)50-44)49-45(48-42)38-29-40-37(28-36(38)30-24-26-47-27-25-30)34-20-10-12-22-39(34)46(40,32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-30H;3*1-29H.
What are the key properties of bis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
bis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2574.11 g/mol, XLogP of 45.61, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(9,9-diphenyl-2-pyridin-4-ylfluoren-3-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine);2-(9,9-diphenyl-3-pyridin-4-ylfluoren-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 159354429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).