2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine

C25H19BrN2 — CID 118100346

IUPAC2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3cccc(Br)c3)nc(-c3ccccc3)c21
InChIInChI=1S/C25H19BrN2/c1-25(2)20-14-7-6-13-19(20)23-21(25)22(16-9-4-3-5-10-16)27-24(28-23)17-11-8-12-18(26)15-17/h3-15H,1-2H3
InChIKeyXXBXNMDVLDNQTD-UHFFFAOYSA-N
MW427.35 g/mol
LogP6.88
Rot. Bonds2

About 2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine

2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine (PubChem CID 118100346) has the molecular formula C25H19BrN2 and a molecular weight of 427.35 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine
PubChem CID118100346
Molecular FormulaC25H19BrN2
Molecular Weight427.35 g/mol
Exact Mass426.07
IUPAC Name2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3cccc(Br)c3)nc(-c3ccccc3)c21
InChIInChI=1S/C25H19BrN2/c1-25(2)20-14-7-6-13-19(20)23-21(25)22(16-9-4-3-5-10-16)27-24(28-23)17-11-8-12-18(26)15-17/h3-15H,1-2H3
InChIKeyXXBXNMDVLDNQTD-UHFFFAOYSA-N
XLogP6.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.35
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine?
The IUPAC name of 2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine (CID 118100346) is 2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine.
What is the SMILES notation for 2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine?
The canonical SMILES for 2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine is CC1(C)c2ccccc2-c2nc(-c3cccc(Br)c3)nc(-c3ccccc3)c21.
What is the InChIKey of 2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine?
The InChIKey is XXBXNMDVLDNQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN2/c1-25(2)20-14-7-6-13-19(20)23-21(25)22(16-9-4-3-5-10-16)27-24(28-23)17-11-8-12-18(26)15-17/h3-15H,1-2H3.
What are the key properties of 2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine?
2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine has a molecular weight of 427.35 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine is sourced from PubChem (CID 118100346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).