2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine

C56H42N2 — CID 176793436

IUPAC2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cccc7c6-c6cc8ccccc8cc6C76CCCCC6)cc5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C56H42N2/c1-4-13-38(14-5-1)39-23-29-43(30-24-39)52-37-53(58-55(57-52)45-15-6-2-7-16-45)44-31-25-41(26-32-44)40-21-27-42(28-22-40)48-19-12-20-50-54(48)49-35-46-17-8-9-18-47(46)36-51(49)56(50)33-10-3-11-34-56/h1-2,4-9,12-32,35-37H,3,10-11,33-34H2
InChIKeyIUHRDTHKFSNKIG-UHFFFAOYSA-N
MW742.97 g/mol
LogP14.86
Rot. Bonds6

About 2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine

2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine (PubChem CID 176793436) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine
PubChem CID176793436
Molecular FormulaC56H42N2
Molecular Weight742.97 g/mol
Exact Mass742.33
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cccc7c6-c6cc8ccccc8cc6C76CCCCC6)cc5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C56H42N2/c1-4-13-38(14-5-1)39-23-29-43(30-24-39)52-37-53(58-55(57-52)45-15-6-2-7-16-45)44-31-25-41(26-32-44)40-21-27-42(28-22-40)48-19-12-20-50-54(48)49-35-46-17-8-9-18-47(46)36-51(49)56(50)33-10-3-11-34-56/h1-2,4-9,12-32,35-37H,3,10-11,33-34H2
InChIKeyIUHRDTHKFSNKIG-UHFFFAOYSA-N
XLogP14.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine
CID 159060876
2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine
CID 176794256
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158284037
2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 159019694
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061276
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061273
CID 166901869
CID 166901869
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 176793784
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160653174
5'-[4-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440676
2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-diphenylpyrimidine
CID 176794076
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159255528

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine (CID 176793436) is 2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cccc7c6-c6cc8ccccc8cc6C76CCCCC6)cc5)cc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine?
The InChIKey is IUHRDTHKFSNKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2/c1-4-13-38(14-5-1)39-23-29-43(30-24-39)52-37-53(58-55(57-52)45-15-6-2-7-16-45)44-31-25-41(26-32-44)40-21-27-42(28-22-40)48-19-12-20-50-54(48)49-35-46-17-8-9-18-47(46)36-51(49)56(50)33-10-3-11-34-56/h1-2,4-9,12-32,35-37H,3,10-11,33-34H2.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine?
2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine has a molecular weight of 742.97 g/mol, XLogP of 14.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 176793436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).