4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine

C52H38N2OS — CID 166902345

IUPAC4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine
SMILESCC1(C)C2=CCCC=C2c2cc3c(cc21)-c1cc(-c2ccc4sc5c(-c6nc(-c7ccccc7)c7c(n6)oc6ccccc67)cccc5c4c2)ccc1C3(C)C
InChIInChI=1S/C52H38N2OS/c1-51(2)40-19-10-8-15-32(40)37-27-43-38(28-42(37)51)36-25-30(21-23-41(36)52(43,3)4)31-22-24-45-39(26-31)33-17-12-18-35(48(33)56-45)49-53-47(29-13-6-5-7-14-29)46-34-16-9-11-20-44(34)55-50(46)54-49/h5-7,9,11-28H,8,10H2,1-4H3
InChIKeyFWDBXQNTUHZYNE-UHFFFAOYSA-N
MW738.96 g/mol
LogP14.45
Rot. Bonds3

About 4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine

4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 166902345) has the molecular formula C52H38N2OS and a molecular weight of 738.96 g/mol. Its IUPAC name is 4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine
PubChem CID166902345
Molecular FormulaC52H38N2OS
Molecular Weight738.96 g/mol
Exact Mass738.27
IUPAC Name4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine
SMILESCC1(C)C2=CCCC=C2c2cc3c(cc21)-c1cc(-c2ccc4sc5c(-c6nc(-c7ccccc7)c7c(n6)oc6ccccc67)cccc5c4c2)ccc1C3(C)C
InChIInChI=1S/C52H38N2OS/c1-51(2)40-19-10-8-15-32(40)37-27-43-38(28-42(37)51)36-25-30(21-23-41(36)52(43,3)4)31-22-24-45-39(26-31)33-17-12-18-35(48(33)56-45)49-53-47(29-13-6-5-7-14-29)46-34-16-9-11-20-44(34)55-50(46)54-49/h5-7,9,11-28H,8,10H2,1-4H3
InChIKeyFWDBXQNTUHZYNE-UHFFFAOYSA-N
XLogP14.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.96
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 166902107
2-[3-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 146648509
2-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 163532400
2-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 166902124
5-[4-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-c]isoquinoline
CID 155018780
2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 167197027
2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 118507834
2-dibenzothiophen-4-yl-4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602523
6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159380572
2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002305
7-[3-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009833
4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170091519

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine (CID 166902345) is 4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine is CC1(C)C2=CCCC=C2c2cc3c(cc21)-c1cc(-c2ccc4sc5c(-c6nc(-c7ccccc7)c7c(n6)oc6ccccc67)cccc5c4c2)ccc1C3(C)C.
What is the InChIKey of 4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is FWDBXQNTUHZYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2OS/c1-51(2)40-19-10-8-15-32(40)37-27-43-38(28-42(37)51)36-25-30(21-23-41(36)52(43,3)4)31-22-24-45-39(26-31)33-17-12-18-35(48(33)56-45)49-53-47(29-13-6-5-7-14-29)46-34-16-9-11-20-44(34)55-50(46)54-49/h5-7,9,11-28H,8,10H2,1-4H3.
What are the key properties of 4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine?
4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 738.96 g/mol, XLogP of 14.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[8-(6,6,12,12-tetramethyl-8,9-dihydroindeno[1,2-b]fluoren-3-yl)dibenzothiophen-4-yl]-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 166902345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).