4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline

C47H29N5S — CID 164716940

IUPAC4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(-c7cccnc7)c(-c7ccncc7)sc6c5c4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C47H29N5S/c1-3-10-31(11-4-1)44-42-41(36-14-9-25-49-29-36)45(33-23-26-48-27-24-33)53-46(42)38-28-35(21-22-40(38)50-44)30-17-19-32(20-18-30)43-37-15-7-8-16-39(37)51-47(52-43)34-12-5-2-6-13-34/h1-29H
InChIKeyDYPSTIYKXYSIKE-UHFFFAOYSA-N
MW695.85 g/mol
LogP12.18
Rot. Bonds6

About 4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline

4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline (PubChem CID 164716940) has the molecular formula C47H29N5S and a molecular weight of 695.85 g/mol. Its IUPAC name is 4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline.

Molecular Properties

Compound Name4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline
PubChem CID164716940
Molecular FormulaC47H29N5S
Molecular Weight695.85 g/mol
Exact Mass695.21
IUPAC Name4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(-c7cccnc7)c(-c7ccncc7)sc6c5c4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C47H29N5S/c1-3-10-31(11-4-1)44-42-41(36-14-9-25-49-29-36)45(33-23-26-48-27-24-33)53-46(42)38-28-35(21-22-40(38)50-44)30-17-19-32(20-18-30)43-37-15-7-8-16-39(37)51-47(52-43)34-12-5-2-6-13-34/h1-29H
InChIKeyDYPSTIYKXYSIKE-UHFFFAOYSA-N
XLogP12.18
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.85
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
CID 164716078
2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164716451
8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline
CID 164716009
4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
CID 164716665
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716843
2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716651
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
2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
CID 164716105
2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164716782
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
8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline
CID 165068687
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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline?
The IUPAC name of 4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline (CID 164716940) is 4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline.
What is the SMILES notation for 4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline?
The canonical SMILES for 4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline is c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(-c7cccnc7)c(-c7ccncc7)sc6c5c4)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline?
The InChIKey is DYPSTIYKXYSIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5S/c1-3-10-31(11-4-1)44-42-41(36-14-9-25-49-29-36)45(33-23-26-48-27-24-33)53-46(42)38-28-35(21-22-40(38)50-44)30-17-19-32(20-18-30)43-37-15-7-8-16-39(37)51-47(52-43)34-12-5-2-6-13-34/h1-29H.
What are the key properties of 4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline?
4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline has a molecular weight of 695.85 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline is sourced from PubChem (CID 164716940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).