2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline

C147H95N9S3 — CID 165020295

IUPAC2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5c(-c6ccccc6)sc6c5c(-c5ccccc5)nc5ccccc56)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4c(-c5ccccc5)sc5c4c(-c4ccccc4)nc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5c(-c6ccccc6)sc6c5c(-c5ccccc5)nc5ccccc56)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/2C51H33N3S.C45H29N3S/c1-5-16-34(17-6-1)40-24-15-25-41(32-40)45-33-44(53-51(54-45)39-22-11-4-12-23-39)35-28-30-36(31-29-35)46-47-48(37-18-7-2-8-19-37)52-43-27-14-13-26-42(43)50(47)55-49(46)38-20-9-3-10-21-38;1-5-15-36(16-6-1)44-33-45(54-51(53-44)41-21-11-4-12-22-41)37-29-25-34(26-30-37)35-27-31-38(32-28-35)46-47-48(39-17-7-2-8-18-39)52-43-24-14-13-23-42(43)50(47)55-49(46)40-19-9-3-10-20-40;1-5-16-30(17-6-1)38-29-39(48-45(47-38)33-22-11-4-12-23-33)34-24-15-25-35(28-34)40-41-42(31-18-7-2-8-19-31)46-37-27-14-13-26-36(37)44(41)49-43(40)32-20-9-3-10-21-32/h2*1-33H;1-29H
InChIKeyLBFOOMBQZGVTEE-UHFFFAOYSA-N
MW2083.64 g/mol
LogP40.06
Rot. Bonds20

About 2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline

2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline (PubChem CID 165020295) has the molecular formula C147H95N9S3 and a molecular weight of 2083.64 g/mol. Its IUPAC name is 2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline.

Molecular Properties

Compound Name2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline
PubChem CID165020295
Molecular FormulaC147H95N9S3
Molecular Weight2083.64 g/mol
Exact Mass2081.69
IUPAC Name2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5c(-c6ccccc6)sc6c5c(-c5ccccc5)nc5ccccc56)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4c(-c5ccccc5)sc5c4c(-c4ccccc4)nc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5c(-c6ccccc6)sc6c5c(-c5ccccc5)nc5ccccc56)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/2C51H33N3S.C45H29N3S/c1-5-16-34(17-6-1)40-24-15-25-41(32-40)45-33-44(53-51(54-45)39-22-11-4-12-23-39)35-28-30-36(31-29-35)46-47-48(37-18-7-2-8-19-37)52-43-27-14-13-26-42(43)50(47)55-49(46)38-20-9-3-10-21-38;1-5-15-36(16-6-1)44-33-45(54-51(53-44)41-21-11-4-12-22-41)37-29-25-34(26-30-37)35-27-31-38(32-28-35)46-47-48(39-17-7-2-8-18-39)52-43-24-14-13-23-42(43)50(47)55-49(46)40-19-9-3-10-20-40;1-5-16-30(17-6-1)38-29-39(48-45(47-38)33-22-11-4-12-23-33)34-24-15-25-35(28-34)40-41-42(31-18-7-2-8-19-31)46-37-27-14-13-26-36(37)44(41)49-43(40)32-20-9-3-10-21-32/h2*1-33H;1-29H
InChIKeyLBFOOMBQZGVTEE-UHFFFAOYSA-N
XLogP40.06
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002083.64
LogP ≤ 540.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline with MolForge

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Related Compounds

4-phenyl-2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716121
2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 165093225
2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
CID 164716105
2-(3,5-diphenylphenyl)-3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenylthieno[3,2-c]quinoline;2-(3,5-diphenylphenyl)-3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;2-(3,5-diphenylphenyl)-3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline
CID 165029552
8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline;8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline;2,3,4-triphenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
CID 164998302
2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716651
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716116
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;4-phenyl-2-(3-phenylphenyl)-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164971665
2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164716782
8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline
CID 164716009
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716843
2-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,4-diphenylthieno[2,3-c]quinoline
CID 164716151

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline?
The IUPAC name of 2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline (CID 165020295) is 2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline.
What is the SMILES notation for 2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline?
The canonical SMILES for 2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5c(-c6ccccc6)sc6c5c(-c5ccccc5)nc5ccccc56)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4c(-c5ccccc5)sc5c4c(-c4ccccc4)nc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5c(-c6ccccc6)sc6c5c(-c5ccccc5)nc5ccccc56)cc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline?
The InChIKey is LBFOOMBQZGVTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H33N3S.C45H29N3S/c1-5-16-34(17-6-1)40-24-15-25-41(32-40)45-33-44(53-51(54-45)39-22-11-4-12-23-39)35-28-30-36(31-29-35)46-47-48(37-18-7-2-8-19-37)52-43-27-14-13-26-42(43)50(47)55-49(46)38-20-9-3-10-21-38;1-5-15-36(16-6-1)44-33-45(54-51(53-44)41-21-11-4-12-22-41)37-29-25-34(26-30-37)35-27-31-38(32-28-35)46-47-48(39-17-7-2-8-18-39)52-43-24-14-13-23-42(43)50(47)55-49(46)40-19-9-3-10-20-40;1-5-16-30(17-6-1)38-29-39(48-45(47-38)33-22-11-4-12-23-33)34-24-15-25-35(28-34)40-41-42(31-18-7-2-8-19-31)46-37-27-14-13-26-36(37)44(41)49-43(40)32-20-9-3-10-21-32/h2*1-33H;1-29H.
What are the key properties of 2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline?
2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline has a molecular weight of 2083.64 g/mol, XLogP of 40.06, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline is sourced from PubChem (CID 165020295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).