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)

C188H120N8O4 — CID 161102117

IUPACbis(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)
SMILESc1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/4C47H30N2O/c2*1-5-17-31(18-6-1)37-30-41-38(35-25-13-15-27-40(35)47(41,33-21-9-3-10-22-33)34-23-11-4-12-24-34)29-39(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*1-5-17-31(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/h4*1-30H
InChIKeyUIOKXPBQVDNOBH-UHFFFAOYSA-N
MW2555.08 g/mol
LogP46.96
Rot. Bonds20

About 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)

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) (PubChem CID 161102117) has the molecular formula C188H120N8O4 and a molecular weight of 2555.08 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namebis(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)
PubChem CID161102117
Molecular FormulaC188H120N8O4
Molecular Weight2555.08 g/mol
Exact Mass2552.94
IUPAC Namebis(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)
SMILESc1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/4C47H30N2O/c2*1-5-17-31(18-6-1)37-30-41-38(35-25-13-15-27-40(35)47(41,33-21-9-3-10-22-33)34-23-11-4-12-24-34)29-39(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*1-5-17-31(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/h4*1-30H
InChIKeyUIOKXPBQVDNOBH-UHFFFAOYSA-N
XLogP46.96
TPSA155.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002555.08
LogP ≤ 546.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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) with MolForge

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Related Compounds

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
2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 146367964
2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 146367757
2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146367670
2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine
CID 146367821
2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 166901522
4-(3,5-diphenylphenyl)-2-spiro[fluorene-9,20'-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene]-4-yl-[1]benzofuro[3,2-d]pyrimidine
CID 155186218
2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 134399102
4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine
CID 146367846
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]-1,3,5-triazine
CID 137413879
2-[4-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491019
4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818388

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is c1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)c4oc5ccccc5c4n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 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)?
The InChIKey is UIOKXPBQVDNOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C47H30N2O/c2*1-5-17-31(18-6-1)37-30-41-38(35-25-13-15-27-40(35)47(41,33-21-9-3-10-22-33)34-23-11-4-12-24-34)29-39(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*1-5-17-31(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/h4*1-30H.
What are the key properties of 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)?
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) has a molecular weight of 2555.08 g/mol, XLogP of 46.96, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 161102117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).