1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine

C24H18N4S — CID 18382971

IUPAC1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ncnc4cc(-c5ccccc5)sc34)cc2)cc1
InChIInChI=1S/C24H18N4S/c1-3-7-17(8-4-1)22-15-21-23(29-22)24(26-16-25-21)28-20-13-11-19(12-14-20)27-18-9-5-2-6-10-18/h1-16,27H,(H,25,26,28)
InChIKeyUCQZRLSOCWARHI-UHFFFAOYSA-N
MW394.50 g/mol
LogP6.85
Rot. Bonds5

About 1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine

1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine (PubChem CID 18382971) has the molecular formula C24H18N4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine
PubChem CID18382971
Molecular FormulaC24H18N4S
Molecular Weight394.50 g/mol
Exact Mass394.13
IUPAC Name1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ncnc4cc(-c5ccccc5)sc34)cc2)cc1
InChIInChI=1S/C24H18N4S/c1-3-7-17(8-4-1)22-15-21-23(29-22)24(26-16-25-21)28-20-13-11-19(12-14-20)27-18-9-5-2-6-10-18/h1-16,27H,(H,25,26,28)
InChIKeyUCQZRLSOCWARHI-UHFFFAOYSA-N
XLogP6.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine (CID 18382971) is 1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine is c1ccc(Nc2ccc(Nc3ncnc4cc(-c5ccccc5)sc34)cc2)cc1.
What is the InChIKey of 1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine?
The InChIKey is UCQZRLSOCWARHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4S/c1-3-7-17(8-4-1)22-15-21-23(29-22)24(26-16-25-21)28-20-13-11-19(12-14-20)27-18-9-5-2-6-10-18/h1-16,27H,(H,25,26,28).
What are the key properties of 1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine?
1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine has a molecular weight of 394.50 g/mol, XLogP of 6.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 18382971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).