4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine

C25H20N2S — CID 130266532

IUPAC4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine
SMILESCC(C)c1nc(-c2ccc(-c3ccccc3)cc2)c2sc3ccccc3c2n1
InChIInChI=1S/C25H20N2S/c1-16(2)25-26-22(24-23(27-25)20-10-6-7-11-21(20)28-24)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,1-2H3
InChIKeyWUYUUTHNVZUCRZ-UHFFFAOYSA-N
MW380.52 g/mol
LogP7.30
Rot. Bonds3

About 4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine

4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 130266532) has the molecular formula C25H20N2S and a molecular weight of 380.52 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID130266532
Molecular FormulaC25H20N2S
Molecular Weight380.52 g/mol
Exact Mass380.13
IUPAC Name4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine
SMILESCC(C)c1nc(-c2ccc(-c3ccccc3)cc2)c2sc3ccccc3c2n1
InChIInChI=1S/C25H20N2S/c1-16(2)25-26-22(24-23(27-25)20-10-6-7-11-21(20)28-24)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,1-2H3
InChIKeyWUYUUTHNVZUCRZ-UHFFFAOYSA-N
XLogP7.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 122489611
4-(4-methylphenyl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 121339088
4-(4-phenylphenyl)-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118229358
4-phenyl-2-[4-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118229340
4-phenyl-2-[3-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118229396
2-(3-phenylphenyl)-4-[3-[3-[3-phenyl-5-[3-[4-[3-[3-[3-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 163725705
4-(3-phenylphenyl)-2-[3-[4-(3-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118229366
4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 163617819
2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130210493
2-[4-[4,6-bis(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130210482
2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118232385
4-(3,5-diphenylphenyl)-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118229346

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine (CID 130266532) is 4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine is CC(C)c1nc(-c2ccc(-c3ccccc3)cc2)c2sc3ccccc3c2n1.
What is the InChIKey of 4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is WUYUUTHNVZUCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2S/c1-16(2)25-26-22(24-23(27-25)20-10-6-7-11-21(20)28-24)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,1-2H3.
What are the key properties of 4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 380.52 g/mol, XLogP of 7.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 130266532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).