2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine

C43H32N2 — CID 175459036

IUPAC2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(-c4ccccc4)cccc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc21
InChIInChI=1S/C43H32N2/c1-43(2)37-24-13-12-21-34(37)35-26-25-32(27-38(35)43)41-33(29-15-6-3-7-16-29)22-14-23-36(41)42-44-39(30-17-8-4-9-18-30)28-40(45-42)31-19-10-5-11-20-31/h3-28H,1-2H3
InChIKeyCLSQAXOQFRKTKC-UHFFFAOYSA-N
MW576.74 g/mol
LogP11.12
Rot. Bonds5

About 2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine

2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine (PubChem CID 175459036) has the molecular formula C43H32N2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine
PubChem CID175459036
Molecular FormulaC43H32N2
Molecular Weight576.74 g/mol
Exact Mass576.26
IUPAC Name2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(-c4ccccc4)cccc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc21
InChIInChI=1S/C43H32N2/c1-43(2)37-24-13-12-21-34(37)35-26-25-32(27-38(35)43)41-33(29-15-6-3-7-16-29)22-14-23-36(41)42-44-39(30-17-8-4-9-18-30)28-40(45-42)31-19-10-5-11-20-31/h3-28H,1-2H3
InChIKeyCLSQAXOQFRKTKC-UHFFFAOYSA-N
XLogP11.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
2-[2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)pyrimidine
CID 176794554
2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-diphenylpyrimidine
CID 176794076
2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine
CID 156513095
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881185
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
CID 130355500
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 176793784
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 176793458
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
CID 168779140
4-(9,9-dimethylfluoren-2-yl)-6-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1'-yl)phenyl]-2-phenylpyrimidine
CID 146495353

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine (CID 175459036) is 2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3c(-c4ccccc4)cccc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine?
The InChIKey is CLSQAXOQFRKTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2/c1-43(2)37-24-13-12-21-34(37)35-26-25-32(27-38(35)43)41-33(29-15-6-3-7-16-29)22-14-23-36(41)42-44-39(30-17-8-4-9-18-30)28-40(45-42)31-19-10-5-11-20-31/h3-28H,1-2H3.
What are the key properties of 2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine?
2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine has a molecular weight of 576.74 g/mol, XLogP of 11.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 175459036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).