1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline

C138H86N8S3 — CID 164983821

IUPAC1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6nc7ccccc7c7c(-c8ccccc8)c(-c8ccccc8)sc67)cc5)nc4c3n2)cc1.c1ccc(-c2sc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)nc4ccccc4c3c2-c2ccccc2)cc1.c1ccc(-c2sc3c(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)nc4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C47H29N3S.C47H29NS.C44H28N4S/c1-4-12-30(13-5-1)38-28-26-33-24-25-34-27-29-39(49-44(34)43(33)48-38)31-20-22-35(23-21-31)45-47-42(37-18-10-11-19-40(37)50-45)41(32-14-6-2-7-15-32)46(51-47)36-16-8-3-9-17-36;1-3-13-31(14-4-1)43-44-40-21-11-12-22-42(40)48-45(47(44)49-46(43)33-15-5-2-6-16-33)32-25-23-30(24-26-32)34-27-28-39-37-19-8-7-17-35(37)36-18-9-10-20-38(36)41(39)29-34;1-3-13-30(14-4-1)40-41-34-17-7-8-18-35(34)48-42(44(41)49-43(40)32-15-5-2-6-16-32)31-23-21-29(22-24-31)33-27-38(36-19-9-11-25-45-36)47-39(28-33)37-20-10-12-26-46-37/h1-29H;1-29H;1-28H
InChIKeyFWFBIFBKLVAZGX-UHFFFAOYSA-N
MW1952.46 g/mol
LogP38.09
Rot. Bonds15

About 1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline

1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline (PubChem CID 164983821) has the molecular formula C138H86N8S3 and a molecular weight of 1952.46 g/mol. Its IUPAC name is 1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline.

Molecular Properties

Compound Name1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline
PubChem CID164983821
Molecular FormulaC138H86N8S3
Molecular Weight1952.46 g/mol
Exact Mass1950.61
IUPAC Name1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6nc7ccccc7c7c(-c8ccccc8)c(-c8ccccc8)sc67)cc5)nc4c3n2)cc1.c1ccc(-c2sc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)nc4ccccc4c3c2-c2ccccc2)cc1.c1ccc(-c2sc3c(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)nc4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C47H29N3S.C47H29NS.C44H28N4S/c1-4-12-30(13-5-1)38-28-26-33-24-25-34-27-29-39(49-44(34)43(33)48-38)31-20-22-35(23-21-31)45-47-42(37-18-10-11-19-40(37)50-45)41(32-14-6-2-7-15-32)46(51-47)36-16-8-3-9-17-36;1-3-13-31(14-4-1)43-44-40-21-11-12-22-42(40)48-45(47(44)49-46(43)33-15-5-2-6-16-33)32-25-23-30(24-26-32)34-27-28-39-37-19-8-7-17-35(37)36-18-9-10-20-38(36)41(39)29-34;1-3-13-30(14-4-1)40-41-34-17-7-8-18-35(34)48-42(44(41)49-43(40)32-15-5-2-6-16-32)31-23-21-29(22-24-31)33-27-38(36-19-9-11-25-45-36)47-39(28-33)37-20-10-12-26-46-37/h1-29H;1-29H;1-28H
InChIKeyFWFBIFBKLVAZGX-UHFFFAOYSA-N
XLogP38.09
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001952.46
LogP ≤ 538.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline with MolForge

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Related Compounds

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline
CID 164716732
1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline
CID 164716656
2-[7-(2,6-dipyridin-2-yl-4-pyridinyl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445816
2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline
CID 164716471
2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-triphenylen-2-yl-1,10-phenanthroline
CID 134167397
6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 167648072
2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine
CID 167651908
8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline
CID 165037696
2-(3,5-diphenylphenyl)-1-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[2,3-c]quinoline
CID 164716410
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-1-triphenylen-2-ylthieno[2,3-c]quinoline
CID 164716452
14-[4-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-yl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 146230937
3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 157078508

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline?
The IUPAC name of 1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline (CID 164983821) is 1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline.
What is the SMILES notation for 1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline?
The canonical SMILES for 1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6nc7ccccc7c7c(-c8ccccc8)c(-c8ccccc8)sc67)cc5)nc4c3n2)cc1.c1ccc(-c2sc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)nc4ccccc4c3c2-c2ccccc2)cc1.c1ccc(-c2sc3c(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)nc4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline?
The InChIKey is FWFBIFBKLVAZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3S.C47H29NS.C44H28N4S/c1-4-12-30(13-5-1)38-28-26-33-24-25-34-27-29-39(49-44(34)43(33)48-38)31-20-22-35(23-21-31)45-47-42(37-18-10-11-19-40(37)50-45)41(32-14-6-2-7-15-32)46(51-47)36-16-8-3-9-17-36;1-3-13-31(14-4-1)43-44-40-21-11-12-22-42(40)48-45(47(44)49-46(43)33-15-5-2-6-16-33)32-25-23-30(24-26-32)34-27-28-39-37-19-8-7-17-35(37)36-18-9-10-20-38(36)41(39)29-34;1-3-13-30(14-4-1)40-41-34-17-7-8-18-35(34)48-42(44(41)49-43(40)32-15-5-2-6-16-32)31-23-21-29(22-24-31)33-27-38(36-19-9-11-25-45-36)47-39(28-33)37-20-10-12-26-46-37/h1-29H;1-29H;1-28H.
What are the key properties of 1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline?
1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline has a molecular weight of 1952.46 g/mol, XLogP of 38.09, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline is sourced from PubChem (CID 164983821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).