4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine

C56H42N2 — CID 176794513

IUPAC4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3cc(-c4cccc(-c5cccc6c5-c5cc7ccccc7cc5C6(C)C)c4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C56H42N2/c1-55(2)47-26-13-12-23-43(47)44-29-28-39(33-49(44)55)41-22-10-11-24-45(41)52-34-51(57-54(58-52)35-16-6-5-7-17-35)40-21-14-20-38(30-40)42-25-15-27-48-53(42)46-31-36-18-8-9-19-37(36)32-50(46)56(48,3)4/h5-34H,1-4H3
InChIKeyVSCOAFIZRGZJBI-UHFFFAOYSA-N
MW742.97 g/mol
LogP14.58
Rot. Bonds5

About 4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine

4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine (PubChem CID 176794513) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is 4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
PubChem CID176794513
Molecular FormulaC56H42N2
Molecular Weight742.97 g/mol
Exact Mass742.33
IUPAC Name4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3cc(-c4cccc(-c5cccc6c5-c5cc7ccccc7cc5C6(C)C)c4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C56H42N2/c1-55(2)47-26-13-12-23-43(47)44-29-28-39(33-49(44)55)41-22-10-11-24-45(41)52-34-51(57-54(58-52)35-16-6-5-7-17-35)40-21-14-20-38(30-40)42-25-15-27-48-53(42)46-31-36-18-8-9-19-37(36)32-50(46)56(48,3)4/h5-34H,1-4H3
InChIKeyVSCOAFIZRGZJBI-UHFFFAOYSA-N
XLogP14.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine with MolForge

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Related Compounds

4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 176793199
4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)-5-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 176794266
4-[3-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 176793990
4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenyl-6-(9,9'-spirobi[fluorene]-1-yl)pyrimidine
CID 176795253
4-[4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 176795306
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-4-yl)phenyl]-4,6-diphenylpyrimidine
CID 176794076
4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 176793512
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779288
4-[2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]phenyl]-2-phenyl-6-[2-(4-phenylphenyl)phenyl]pyrimidine
CID 176795039
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-[6-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-2-phenylpyrimidine
CID 176793584

Frequently Asked Questions

What is the IUPAC name of 4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine (CID 176794513) is 4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3cc(-c4cccc(-c5cccc6c5-c5cc7ccccc7cc5C6(C)C)c4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is VSCOAFIZRGZJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2/c1-55(2)47-26-13-12-23-43(47)44-29-28-39(33-49(44)55)41-22-10-11-24-45(41)52-34-51(57-54(58-52)35-16-6-5-7-17-35)40-21-14-20-38(30-40)42-25-15-27-48-53(42)46-31-36-18-8-9-19-37(36)32-50(46)56(48,3)4/h5-34H,1-4H3.
What are the key properties of 4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine?
4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 742.97 g/mol, XLogP of 14.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 176794513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).