4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine

C31H23BrN2 — CID 58028702

IUPAC4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(Br)cc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C31H23BrN2/c1-31(2)26-11-7-6-10-24(26)25-17-14-22(18-27(25)31)29-19-28(20-12-15-23(32)16-13-20)33-30(34-29)21-8-4-3-5-9-21/h3-19H,1-2H3
InChIKeyBIRUTEHENSNQNV-UHFFFAOYSA-N
MW503.44 g/mol
LogP8.55
Rot. Bonds3

About 4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine

4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine (PubChem CID 58028702) has the molecular formula C31H23BrN2 and a molecular weight of 503.44 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
PubChem CID58028702
Molecular FormulaC31H23BrN2
Molecular Weight503.44 g/mol
Exact Mass502.10
IUPAC Name4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(Br)cc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C31H23BrN2/c1-31(2)26-11-7-6-10-24(26)25-17-14-22(18-27(25)31)29-19-28(20-12-15-23(32)16-13-20)33-30(34-29)21-8-4-3-5-9-21/h3-19H,1-2H3
InChIKeyBIRUTEHENSNQNV-UHFFFAOYSA-N
XLogP8.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.44
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine?
The IUPAC name of 4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine (CID 58028702) is 4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(Br)cc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine?
The InChIKey is BIRUTEHENSNQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23BrN2/c1-31(2)26-11-7-6-10-24(26)25-17-14-22(18-27(25)31)29-19-28(20-12-15-23(32)16-13-20)33-30(34-29)21-8-4-3-5-9-21/h3-19H,1-2H3.
What are the key properties of 4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine?
4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine has a molecular weight of 503.44 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine is sourced from PubChem (CID 58028702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).