2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane

C94H61AlN12O4S — CID 159947957

IUPAC2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5sccc5n4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5occc5n4)cc3)n2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C34H22N4S.C33H21N5O.3C9H7NO.Al/c1-4-10-23(11-5-1)29-22-30(24-12-6-2-7-13-24)37-33(36-29)26-16-18-27(19-17-26)34-35-28-20-21-39-32(28)31(38-34)25-14-8-3-9-15-25;1-4-10-22(11-5-1)28-29-27(20-21-39-29)34-30(35-28)25-16-18-26(19-17-25)33-37-31(23-12-6-2-7-13-23)36-32(38-33)24-14-8-3-9-15-24;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-22H;1-21H;3*1-6,11H;/q;;;;;+3/p-3
InChIKeyOBSQAYIWGYLMPM-UHFFFAOYSA-K
MW1481.65 g/mol
LogP22.41
Rot. Bonds16

About 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane

2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane (PubChem CID 159947957) has the molecular formula C94H61AlN12O4S and a molecular weight of 1481.65 g/mol. Its IUPAC name is 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane.

Molecular Properties

Compound Name2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane
PubChem CID159947957
Molecular FormulaC94H61AlN12O4S
Molecular Weight1481.65 g/mol
Exact Mass1480.45
IUPAC Name2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5sccc5n4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5occc5n4)cc3)n2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C34H22N4S.C33H21N5O.3C9H7NO.Al/c1-4-10-23(11-5-1)29-22-30(24-12-6-2-7-13-24)37-33(36-29)26-16-18-27(19-17-26)34-35-28-20-21-39-32(28)31(38-34)25-14-8-3-9-15-25;1-4-10-22(11-5-1)28-29-27(20-21-39-29)34-30(35-28)25-16-18-26(19-17-25)33-37-31(23-12-6-2-7-13-23)36-32(38-33)24-14-8-3-9-15-24;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-22H;1-21H;3*1-6,11H;/q;;;;;+3/p-3
InChIKeyOBSQAYIWGYLMPM-UHFFFAOYSA-K
XLogP22.41
TPSA195.51 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001481.65
LogP ≤ 522.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane with MolForge

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Related Compounds

4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine
CID 130210848
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 162775027
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
6-phenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 162774975
4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile
CID 24855098
6-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 162774885
4-naphthalen-2-yl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 162774774
15-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,5,16-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene
CID 163719946
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2-[4-[6-[3,5-bis(3-dibenzofuran-2-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 123640065
8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 130465718

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane?
The IUPAC name of 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane (CID 159947957) is 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane.
What is the SMILES notation for 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane?
The canonical SMILES for 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5sccc5n4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5occc5n4)cc3)n2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.
What is the InChIKey of 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane?
The InChIKey is OBSQAYIWGYLMPM-UHFFFAOYSA-K. The full InChI is InChI=1S/C34H22N4S.C33H21N5O.3C9H7NO.Al/c1-4-10-23(11-5-1)29-22-30(24-12-6-2-7-13-24)37-33(36-29)26-16-18-27(19-17-26)34-35-28-20-21-39-32(28)31(38-34)25-14-8-3-9-15-25;1-4-10-22(11-5-1)28-29-27(20-21-39-29)34-30(35-28)25-16-18-26(19-17-25)33-37-31(23-12-6-2-7-13-23)36-32(38-33)24-14-8-3-9-15-24;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-22H;1-21H;3*1-6,11H;/q;;;;;+3/p-3.
What are the key properties of 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane?
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane has a molecular weight of 1481.65 g/mol, XLogP of 22.41, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 159947957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).