2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

C106H60N8O2S3 — CID 147583684

IUPAC2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4sc5c(-c6ccc(-c7nc(-c8ccc(-c9ccc%10c(c9)sc9c(-c%11cccc(-c%12cc(-c%13cccc%14sc%15c(-c%16nc(-c%17ccccc%17)c%17oc%18ccccc%18c%17n%16)cccc%15c%13%14)nc(-c%13ccccc%13)n%12)c%11)cccc9%10)cc8)c8oc9ccccc9c8n7)cc6)cccc5c34)n2)cc1
InChIInChI=1S/C106H60N8O2S3/c1-5-23-63(24-6-1)83-59-84(64-25-7-2-8-26-64)109-105(108-83)81-41-22-46-90-93(81)80-39-19-35-72(101(80)117-90)62-49-53-68(54-50-62)104-111-95(99-96(113-104)77-33-13-15-43-87(77)116-99)66-51-47-61(48-52-66)69-55-56-74-75-37-18-36-73(100(75)119-91(74)58-69)70-31-17-32-71(57-70)85-60-86(110-103(107-85)67-29-11-4-12-30-67)76-38-21-45-89-92(76)79-40-20-42-82(102(79)118-89)106-112-94(65-27-9-3-10-28-65)98-97(114-106)78-34-14-16-44-88(78)115-98/h1-60H
InChIKeyFWXUFAASRMNODG-UHFFFAOYSA-N
MW1573.90 g/mol
LogP29.42
Rot. Bonds13

About 2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 147583684) has the molecular formula C106H60N8O2S3 and a molecular weight of 1573.90 g/mol. Its IUPAC name is 2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID147583684
Molecular FormulaC106H60N8O2S3
Molecular Weight1573.90 g/mol
Exact Mass1572.40
IUPAC Name2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4sc5c(-c6ccc(-c7nc(-c8ccc(-c9ccc%10c(c9)sc9c(-c%11cccc(-c%12cc(-c%13cccc%14sc%15c(-c%16nc(-c%17ccccc%17)c%17oc%18ccccc%18c%17n%16)cccc%15c%13%14)nc(-c%13ccccc%13)n%12)c%11)cccc9%10)cc8)c8oc9ccccc9c8n7)cc6)cccc5c34)n2)cc1
InChIInChI=1S/C106H60N8O2S3/c1-5-23-63(24-6-1)83-59-84(64-25-7-2-8-26-64)109-105(108-83)81-41-22-46-90-93(81)80-39-19-35-72(101(80)117-90)62-49-53-68(54-50-62)104-111-95(99-96(113-104)77-33-13-15-43-87(77)116-99)66-51-47-61(48-52-66)69-55-56-74-75-37-18-36-73(100(75)119-91(74)58-69)70-31-17-32-71(57-70)85-60-86(110-103(107-85)67-29-11-4-12-30-67)76-38-21-45-89-92(76)79-40-20-42-82(102(79)118-89)106-112-94(65-27-9-3-10-28-65)98-97(114-106)78-34-14-16-44-88(78)115-98/h1-60H
InChIKeyFWXUFAASRMNODG-UHFFFAOYSA-N
XLogP29.42
TPSA129.40 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.90
LogP ≤ 529.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 147583684) is 2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4sc5c(-c6ccc(-c7nc(-c8ccc(-c9ccc%10c(c9)sc9c(-c%11cccc(-c%12cc(-c%13cccc%14sc%15c(-c%16nc(-c%17ccccc%17)c%17oc%18ccccc%18c%17n%16)cccc%15c%13%14)nc(-c%13ccccc%13)n%12)c%11)cccc9%10)cc8)c8oc9ccccc9c8n7)cc6)cccc5c34)n2)cc1.
What is the InChIKey of 2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is FWXUFAASRMNODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H60N8O2S3/c1-5-23-63(24-6-1)83-59-84(64-25-7-2-8-26-64)109-105(108-83)81-41-22-46-90-93(81)80-39-19-35-72(101(80)117-90)62-49-53-68(54-50-62)104-111-95(99-96(113-104)77-33-13-15-43-87(77)116-99)66-51-47-61(48-52-66)69-55-56-74-75-37-18-36-73(100(75)119-91(74)58-69)70-31-17-32-71(57-70)85-60-86(110-103(107-85)67-29-11-4-12-30-67)76-38-21-45-89-92(76)79-40-20-42-82(102(79)118-89)106-112-94(65-27-9-3-10-28-65)98-97(114-106)78-34-14-16-44-88(78)115-98/h1-60H.
What are the key properties of 2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 1573.90 g/mol, XLogP of 29.42, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[4-[6-[3-[2-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 147583684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).