4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine

C34H22N4S — CID 130210848

IUPAC4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)nc5ccsc45)cc3)n2)cc1
InChIInChI=1S/C34H22N4S/c1-4-10-23(11-5-1)29-22-30(24-12-6-2-7-13-24)37-33(36-29)27-18-16-25(17-19-27)31-32-28(20-21-39-32)35-34(38-31)26-14-8-3-9-15-26/h1-22H
InChIKeyIWWFPMAWLCDIDX-UHFFFAOYSA-N
MW518.65 g/mol
LogP8.82
Rot. Bonds5

About 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine

4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine (PubChem CID 130210848) has the molecular formula C34H22N4S and a molecular weight of 518.65 g/mol. Its IUPAC name is 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine
PubChem CID130210848
Molecular FormulaC34H22N4S
Molecular Weight518.65 g/mol
Exact Mass518.16
IUPAC Name4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)nc5ccsc45)cc3)n2)cc1
InChIInChI=1S/C34H22N4S/c1-4-10-23(11-5-1)29-22-30(24-12-6-2-7-13-24)37-33(36-29)27-18-16-25(17-19-27)31-32-28(20-21-39-32)35-34(38-31)26-14-8-3-9-15-26/h1-22H
InChIKeyIWWFPMAWLCDIDX-UHFFFAOYSA-N
XLogP8.82
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.65
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129087636
3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol
CID 24855049
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 160727234
2-[6-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]anthracen-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158664399
2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine
CID 3793347
2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol
CID 135604721
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine (CID 130210848) is 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)nc5ccsc45)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine?
The InChIKey is IWWFPMAWLCDIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4S/c1-4-10-23(11-5-1)29-22-30(24-12-6-2-7-13-24)37-33(36-29)27-18-16-25(17-19-27)31-32-28(20-21-39-32)35-34(38-31)26-14-8-3-9-15-26/h1-22H.
What are the key properties of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine?
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine has a molecular weight of 518.65 g/mol, XLogP of 8.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 130210848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).