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

C23H15BrN2 — CID 152936992

IUPAC8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
SMILESBrc1ccc2c(c1)-c1nc(-c3ccccc3)nc(-c3ccccc3)c1C2
InChIInChI=1S/C23H15BrN2/c24-18-12-11-17-13-20-21(15-7-3-1-4-8-15)25-23(16-9-5-2-6-10-16)26-22(20)19(17)14-18/h1-12,14H,13H2
InChIKeyUMBCXVIBFJACLG-UHFFFAOYSA-N
MW399.29 g/mol
LogP6.14
Rot. Bonds2

About 8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine

8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine (PubChem CID 152936992) has the molecular formula C23H15BrN2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
PubChem CID152936992
Molecular FormulaC23H15BrN2
Molecular Weight399.29 g/mol
Exact Mass398.04
IUPAC Name8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
SMILESBrc1ccc2c(c1)-c1nc(-c3ccccc3)nc(-c3ccccc3)c1C2
InChIInChI=1S/C23H15BrN2/c24-18-12-11-17-13-20-21(15-7-3-1-4-8-15)25-23(16-9-5-2-6-10-16)26-22(20)19(17)14-18/h1-12,14H,13H2
InChIKeyUMBCXVIBFJACLG-UHFFFAOYSA-N
XLogP6.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.29
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 122487429
2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine
CID 163218406
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 144884682
2,4-diphenyl-5,10-dihydrobenzo[g]quinazoline
CID 101394728
4-phenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine
CID 160536417
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 142551254
5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline
CID 129088173
2,4-diphenylspiro[5H-benzo[g]quinazoline-10,9'-fluorene]
CID 129084873
2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-(4-bromophenyl)-4-phenylquinazoline
CID 158631648
2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 122551801
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-3-yl]phenyl]-1,3,5-triazine
CID 118685423

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine (CID 152936992) is 8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine is Brc1ccc2c(c1)-c1nc(-c3ccccc3)nc(-c3ccccc3)c1C2.
What is the InChIKey of 8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine?
The InChIKey is UMBCXVIBFJACLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN2/c24-18-12-11-17-13-20-21(15-7-3-1-4-8-15)25-23(16-9-5-2-6-10-16)26-22(20)19(17)14-18/h1-12,14H,13H2.
What are the key properties of 8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine?
8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine has a molecular weight of 399.29 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 152936992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).