1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline

C47H29N3S — CID 164716656

IUPAC1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)nc(-c5ccccc5)c5sc(-c7ccccc7)c(-c7ccccc7)c56)nc4c3n2)cc1
InChIInChI=1S/C47H29N3S/c1-5-13-30(14-6-1)38-27-24-33-21-22-34-25-28-39(49-44(34)43(33)48-38)36-23-26-37-40(29-36)50-45(32-17-9-3-10-18-32)47-42(37)41(31-15-7-2-8-16-31)46(51-47)35-19-11-4-12-20-35/h1-29H
InChIKeyCOMCJUBAILCYTI-UHFFFAOYSA-N
MW667.84 g/mol
LogP12.88
Rot. Bonds5

About 1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline

1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline (PubChem CID 164716656) has the molecular formula C47H29N3S and a molecular weight of 667.84 g/mol. Its IUPAC name is 1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline.

Molecular Properties

Compound Name1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline
PubChem CID164716656
Molecular FormulaC47H29N3S
Molecular Weight667.84 g/mol
Exact Mass667.21
IUPAC Name1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)nc(-c5ccccc5)c5sc(-c7ccccc7)c(-c7ccccc7)c56)nc4c3n2)cc1
InChIInChI=1S/C47H29N3S/c1-5-13-30(14-6-1)38-27-24-33-21-22-34-25-28-39(49-44(34)43(33)48-38)36-23-26-37-40(29-36)50-45(32-17-9-3-10-18-32)47-42(37)41(31-15-7-2-8-16-31)46(51-47)35-19-11-4-12-20-35/h1-29H
InChIKeyCOMCJUBAILCYTI-UHFFFAOYSA-N
XLogP12.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.84
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,4-diphenylthieno[2,3-c]quinoline
CID 164716151
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
2,4,6-triphenyl-9-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine
CID 165383368
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-1-triphenylen-2-ylthieno[2,3-c]quinoline
CID 164716452
2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline
CID 176785086
8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline
CID 165014335
6,15,19-triphenyl-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(22),18,20-undecaene
CID 170198117
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
22-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 146230955
2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
CID 164716105

Frequently Asked Questions

What is the IUPAC name of 1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline?
The IUPAC name of 1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline (CID 164716656) is 1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline.
What is the SMILES notation for 1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline?
The canonical SMILES for 1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline is c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)nc(-c5ccccc5)c5sc(-c7ccccc7)c(-c7ccccc7)c56)nc4c3n2)cc1.
What is the InChIKey of 1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline?
The InChIKey is COMCJUBAILCYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3S/c1-5-13-30(14-6-1)38-27-24-33-21-22-34-25-28-39(49-44(34)43(33)48-38)36-23-26-37-40(29-36)50-45(32-17-9-3-10-18-32)47-42(37)41(31-15-7-2-8-16-31)46(51-47)35-19-11-4-12-20-35/h1-29H.
What are the key properties of 1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline?
1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline has a molecular weight of 667.84 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline is sourced from PubChem (CID 164716656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).