4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine

C57H36N2 — CID 165152179

IUPAC4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cc5ccccc5c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/C57H36N2/c1-3-17-37(18-4-1)39-22-15-24-42(33-39)52-36-53(43-25-16-23-40(34-43)38-19-5-2-6-20-38)59-56(58-52)48-35-41-21-7-8-26-44(41)55-54(48)47-29-11-14-32-51(47)57(55)49-30-12-9-27-45(49)46-28-10-13-31-50(46)57/h1-36H
InChIKeyVMVWUNDHOWKXIJ-UHFFFAOYSA-N
MW748.93 g/mol
LogP14.31
Rot. Bonds5

About 4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine

4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine (PubChem CID 165152179) has the molecular formula C57H36N2 and a molecular weight of 748.93 g/mol. Its IUPAC name is 4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine.

Molecular Properties

Compound Name4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine
PubChem CID165152179
Molecular FormulaC57H36N2
Molecular Weight748.93 g/mol
Exact Mass748.29
IUPAC Name4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cc5ccccc5c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/C57H36N2/c1-3-17-37(18-4-1)39-22-15-24-42(33-39)52-36-53(43-25-16-23-40(34-43)38-19-5-2-6-20-38)59-56(58-52)48-35-41-21-7-8-26-44(41)55-54(48)47-29-11-14-32-51(47)57(55)49-30-12-9-27-45(49)46-28-10-13-31-50(46)57/h1-36H
InChIKeyVMVWUNDHOWKXIJ-UHFFFAOYSA-N
XLogP14.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.93
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine
CID 165151929
2-phenyl-6-(3-phenylphenyl)-4-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyridine
CID 165152302
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152062
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine
CID 165152143
2-(3,5-diphenylphenyl)-4-phenyl-6-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)-1,3,5-triazine
CID 165152132
9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 165152012
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152267
2-(11,11-diphenylbenzo[a]fluoren-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 165152070
2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine
CID 165151962
2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 165152292
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine
CID 165152262
4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 165151992

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine?
The IUPAC name of 4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine (CID 165152179) is 4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine.
What is the SMILES notation for 4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine?
The canonical SMILES for 4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine is c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cc5ccccc5c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1.
What is the InChIKey of 4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine?
The InChIKey is VMVWUNDHOWKXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2/c1-3-17-37(18-4-1)39-22-15-24-42(33-39)52-36-53(43-25-16-23-40(34-43)38-19-5-2-6-20-38)59-56(58-52)48-35-41-21-7-8-26-44(41)55-54(48)47-29-11-14-32-51(47)57(55)49-30-12-9-27-45(49)46-28-10-13-31-50(46)57/h1-36H.
What are the key properties of 4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine?
4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine has a molecular weight of 748.93 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine is sourced from PubChem (CID 165152179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).