2,4-diphenyl-5H-indeno[1,2-d]pyrimidine

C23H16N2 — CID 1217408

IUPAC2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2C3)cc1
InChIInChI=1S/C23H16N2/c1-3-9-16(10-4-1)21-20-15-18-13-7-8-14-19(18)22(20)25-23(24-21)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyLAKCYKLNVYBDLF-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.38
Rot. Bonds2

About 2,4-diphenyl-5H-indeno[1,2-d]pyrimidine

2,4-diphenyl-5H-indeno[1,2-d]pyrimidine (PubChem CID 1217408) has the molecular formula C23H16N2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2,4-diphenyl-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
PubChem CID1217408
Molecular FormulaC23H16N2
Molecular Weight320.39 g/mol
Exact Mass320.13
IUPAC Name2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2C3)cc1
InChIInChI=1S/C23H16N2/c1-3-9-16(10-4-1)21-20-15-18-13-7-8-14-19(18)22(20)25-23(24-21)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyLAKCYKLNVYBDLF-UHFFFAOYSA-N
XLogP5.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 2,4-diphenyl-5H-indeno[1,2-d]pyrimidine (CID 1217408) is 2,4-diphenyl-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 2,4-diphenyl-5H-indeno[1,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2C3)cc1.
What is the InChIKey of 2,4-diphenyl-5H-indeno[1,2-d]pyrimidine?
The InChIKey is LAKCYKLNVYBDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2/c1-3-9-16(10-4-1)21-20-15-18-13-7-8-14-19(18)22(20)25-23(24-21)17-11-5-2-6-12-17/h1-14H,15H2.
What are the key properties of 2,4-diphenyl-5H-indeno[1,2-d]pyrimidine?
2,4-diphenyl-5H-indeno[1,2-d]pyrimidine has a molecular weight of 320.39 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 1217408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).