6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline

C146H90N10OS3 — CID 160798448

IUPAC6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline
SMILESc1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)cc2)c2c4ccccc4sc32)cc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc2)c2c4ccccc4sc32)cc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)n4)cc2)c2c4ccccc4oc32)cc1
InChIInChI=1S/C54H32N4OS.C49H31N3S.C43H27N3S/c1-3-13-33(14-4-1)37-29-30-43-45(32-37)55-49(48-44-20-7-9-23-46(44)59-50(43)48)34-25-27-36(28-26-34)53-56-52(35-15-5-2-6-16-35)57-54(58-53)39-18-11-17-38(31-39)40-21-12-22-42-41-19-8-10-24-47(41)60-51(40)42;1-4-12-32(13-5-1)39-28-29-40-44(30-39)50-47(46-41-18-10-11-19-45(41)53-48(40)46)37-24-20-33(21-25-37)34-22-26-38(27-23-34)49-51-42(35-14-6-2-7-15-35)31-43(52-49)36-16-8-3-9-17-36;1-4-12-28(13-5-1)33-24-25-34-38(26-33)44-41(40-35-18-10-11-19-39(35)47-42(34)40)31-20-22-32(23-21-31)43-45-36(29-14-6-2-7-15-29)27-37(46-43)30-16-8-3-9-17-30/h1-32H;1-31H;1-27H
InChIKeySCTARAPZNMDVRA-UHFFFAOYSA-N
MW2096.60 g/mol
LogP39.81
Rot. Bonds17

About 6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline

6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline (PubChem CID 160798448) has the molecular formula C146H90N10OS3 and a molecular weight of 2096.60 g/mol. Its IUPAC name is 6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline.

Molecular Properties

Compound Name6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline
PubChem CID160798448
Molecular FormulaC146H90N10OS3
Molecular Weight2096.60 g/mol
Exact Mass2094.65
IUPAC Name6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline
SMILESc1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)cc2)c2c4ccccc4sc32)cc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc2)c2c4ccccc4sc32)cc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)n4)cc2)c2c4ccccc4oc32)cc1
InChIInChI=1S/C54H32N4OS.C49H31N3S.C43H27N3S/c1-3-13-33(14-4-1)37-29-30-43-45(32-37)55-49(48-44-20-7-9-23-46(44)59-50(43)48)34-25-27-36(28-26-34)53-56-52(35-15-5-2-6-16-35)57-54(58-53)39-18-11-17-38(31-39)40-21-12-22-42-41-19-8-10-24-47(41)60-51(40)42;1-4-12-32(13-5-1)39-28-29-40-44(30-39)50-47(46-41-18-10-11-19-45(41)53-48(40)46)37-24-20-33(21-25-37)34-22-26-38(27-23-34)49-51-42(35-14-6-2-7-15-35)31-43(52-49)36-16-8-3-9-17-36;1-4-12-28(13-5-1)33-24-25-34-38(26-33)44-41(40-35-18-10-11-19-39(35)47-42(34)40)31-20-22-32(23-21-31)43-45-36(29-14-6-2-7-15-29)27-37(46-43)30-16-8-3-9-17-30/h1-32H;1-31H;1-27H
InChIKeySCTARAPZNMDVRA-UHFFFAOYSA-N
XLogP39.81
TPSA142.04 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002096.60
LogP ≤ 539.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline with MolForge

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Related Compounds

6-[4-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158524980
3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline
CID 158635809
3-(3-dibenzothiophen-4-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 158165735
6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
CID 163862340
6-[4-[6-(3-dibenzothiophen-4-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 163516830
6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 157091257
6-[3-[2-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 155019142
6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 157061104
3-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 162124424
4-[3-(4-dibenzofuran-2-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-2,6-diphenylpyrimidine
CID 171584514
6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1-phenyl-[1]benzofuro[2,3-c]quinoline
CID 158269231
8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline
CID 165033053

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline?
The IUPAC name of 6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline (CID 160798448) is 6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline.
What is the SMILES notation for 6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline?
The canonical SMILES for 6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline is c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)cc2)c2c4ccccc4sc32)cc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc2)c2c4ccccc4sc32)cc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)n4)cc2)c2c4ccccc4oc32)cc1.
What is the InChIKey of 6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline?
The InChIKey is SCTARAPZNMDVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4OS.C49H31N3S.C43H27N3S/c1-3-13-33(14-4-1)37-29-30-43-45(32-37)55-49(48-44-20-7-9-23-46(44)59-50(43)48)34-25-27-36(28-26-34)53-56-52(35-15-5-2-6-16-35)57-54(58-53)39-18-11-17-38(31-39)40-21-12-22-42-41-19-8-10-24-47(41)60-51(40)42;1-4-12-32(13-5-1)39-28-29-40-44(30-39)50-47(46-41-18-10-11-19-45(41)53-48(40)46)37-24-20-33(21-25-37)34-22-26-38(27-23-34)49-51-42(35-14-6-2-7-15-35)31-43(52-49)36-16-8-3-9-17-36;1-4-12-28(13-5-1)33-24-25-34-38(26-33)44-41(40-35-18-10-11-19-39(35)47-42(34)40)31-20-22-32(23-21-31)43-45-36(29-14-6-2-7-15-29)27-37(46-43)30-16-8-3-9-17-30/h1-32H;1-31H;1-27H.
What are the key properties of 6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline?
6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline has a molecular weight of 2096.60 g/mol, XLogP of 39.81, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline is sourced from PubChem (CID 160798448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).