4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine

C55H39N3O — CID 167364240

IUPAC4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine
SMILESCc1nc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3c(-c4ccccc4-c4cc(C)c(C)cn4)cccc32)cc(-c2ccccc2-c2ccccc2)n1
InChIInChI=1S/C55H39N3O/c1-34-30-50(56-33-35(34)2)42-21-10-8-19-40(42)43-23-15-26-47-54(43)44-22-11-12-24-45(44)55(47)46-25-13-14-27-52(46)59-53-29-28-38(31-48(53)55)49-32-51(58-36(3)57-49)41-20-9-7-18-39(41)37-16-5-4-6-17-37/h4-33H,1-3H3
InChIKeyHDIUHRWTQAULBR-UHFFFAOYSA-N
MW757.94 g/mol
LogP13.60
Rot. Bonds5

About 4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine

4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine (PubChem CID 167364240) has the molecular formula C55H39N3O and a molecular weight of 757.94 g/mol. Its IUPAC name is 4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine
PubChem CID167364240
Molecular FormulaC55H39N3O
Molecular Weight757.94 g/mol
Exact Mass757.31
IUPAC Name4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine
SMILESCc1nc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3c(-c4ccccc4-c4cc(C)c(C)cn4)cccc32)cc(-c2ccccc2-c2ccccc2)n1
InChIInChI=1S/C55H39N3O/c1-34-30-50(56-33-35(34)2)42-21-10-8-19-40(42)43-23-15-26-47-54(43)44-22-11-12-24-45(44)55(47)46-25-13-14-27-52(46)59-53-29-28-38(31-48(53)55)49-32-51(58-36(3)57-49)41-20-9-7-18-39(41)37-16-5-4-6-17-37/h4-33H,1-3H3
InChIKeyHDIUHRWTQAULBR-UHFFFAOYSA-N
XLogP13.60
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.94
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[2'-[2-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-6-(2-phenylphenyl)pyrimidine
CID 167364738
2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine
CID 146343142
2,4-bis(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 159156197
4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 174328199
4-phenyl-2-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
CID 146661051
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 137388315
4-naphthalen-2-yl-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 137388695
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170017230
2'-(9,9-diphenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018800
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388687

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine (CID 167364240) is 4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine is Cc1nc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3c(-c4ccccc4-c4cc(C)c(C)cn4)cccc32)cc(-c2ccccc2-c2ccccc2)n1.
What is the InChIKey of 4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine?
The InChIKey is HDIUHRWTQAULBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N3O/c1-34-30-50(56-33-35(34)2)42-21-10-8-19-40(42)43-23-15-26-47-54(43)44-22-11-12-24-45(44)55(47)46-25-13-14-27-52(46)59-53-29-28-38(31-48(53)55)49-32-51(58-36(3)57-49)41-20-9-7-18-39(41)37-16-5-4-6-17-37/h4-33H,1-3H3.
What are the key properties of 4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine?
4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine has a molecular weight of 757.94 g/mol, XLogP of 13.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4,5-dimethyl-2-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-methyl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 167364240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).