2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine

C103H66N10S3 — CID 163850927

IUPAC2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine
SMILESCCc1c(-c2cccc(Cc3cnc(-c4ccc5c(c4)sc4ccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7sc7ccccc78)n6)cc45)nc3-c3ccccc3)c2)ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2C3)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3ccccc34)n2)ccc1C
InChIInChI=1S/C103H66N10S3/c1-3-72-73(50-51-80(101-106-92(63-28-10-5-11-29-63)85-55-67-34-16-17-36-74(67)93(85)107-101)90(72)83-56-68(46-45-60(83)2)99-108-97(64-30-12-6-13-31-64)110-102(112-99)81-41-23-39-78-75-37-18-20-43-86(75)115-94(78)81)66-35-22-25-61(53-66)54-71-59-104-96(105-91(71)62-26-8-4-9-27-62)70-47-49-77-84-57-69(48-52-88(84)114-89(77)58-70)100-109-98(65-32-14-7-15-33-65)111-103(113-100)82-42-24-40-79-76-38-19-21-44-87(76)116-95(79)82/h4-53,56-59H,3,54-55H2,1-2H3
InChIKeyOUGWCBDCOCJKFU-UHFFFAOYSA-N
MW1539.93 g/mol
LogP26.78
Rot. Bonds15

About 2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine

2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine (PubChem CID 163850927) has the molecular formula C103H66N10S3 and a molecular weight of 1539.93 g/mol. Its IUPAC name is 2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine
PubChem CID163850927
Molecular FormulaC103H66N10S3
Molecular Weight1539.93 g/mol
Exact Mass1538.46
IUPAC Name2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine
SMILESCCc1c(-c2cccc(Cc3cnc(-c4ccc5c(c4)sc4ccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7sc7ccccc78)n6)cc45)nc3-c3ccccc3)c2)ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2C3)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3ccccc34)n2)ccc1C
InChIInChI=1S/C103H66N10S3/c1-3-72-73(50-51-80(101-106-92(63-28-10-5-11-29-63)85-55-67-34-16-17-36-74(67)93(85)107-101)90(72)83-56-68(46-45-60(83)2)99-108-97(64-30-12-6-13-31-64)110-102(112-99)81-41-23-39-78-75-37-18-20-43-86(75)115-94(78)81)66-35-22-25-61(53-66)54-71-59-104-96(105-91(71)62-26-8-4-9-27-62)70-47-49-77-84-57-69(48-52-88(84)114-89(77)58-70)100-109-98(65-32-14-7-15-33-65)111-103(113-100)82-42-24-40-79-76-38-19-21-44-87(76)116-95(79)82/h4-53,56-59H,3,54-55H2,1-2H3
InChIKeyOUGWCBDCOCJKFU-UHFFFAOYSA-N
XLogP26.78
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001539.93
LogP ≤ 526.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-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

2-[3-(8-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377191
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176831433
2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729
2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146648181
2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 162210784
2-dibenzothiophen-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850235
2-dibenzothiophen-2-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 158295302
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146669978
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618
2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402474
2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952783
4-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 159176355

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine (CID 163850927) is 2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine is CCc1c(-c2cccc(Cc3cnc(-c4ccc5c(c4)sc4ccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7sc7ccccc78)n6)cc45)nc3-c3ccccc3)c2)ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2C3)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3ccccc34)n2)ccc1C.
What is the InChIKey of 2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine?
The InChIKey is OUGWCBDCOCJKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H66N10S3/c1-3-72-73(50-51-80(101-106-92(63-28-10-5-11-29-63)85-55-67-34-16-17-36-74(67)93(85)107-101)90(72)83-56-68(46-45-60(83)2)99-108-97(64-30-12-6-13-31-64)110-102(112-99)81-41-23-39-78-75-37-18-20-43-86(75)115-94(78)81)66-35-22-25-61(53-66)54-71-59-104-96(105-91(71)62-26-8-4-9-27-62)70-47-49-77-84-57-69(48-52-88(84)114-89(77)58-70)100-109-98(65-32-14-7-15-33-65)111-103(113-100)82-42-24-40-79-76-38-19-21-44-87(76)116-95(79)82/h4-53,56-59H,3,54-55H2,1-2H3.
What are the key properties of 2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine?
2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine has a molecular weight of 1539.93 g/mol, XLogP of 26.78, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[[2-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrimidin-5-yl]methyl]phenyl]-2-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-ethylphenyl]-4-phenyl-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 163850927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).