4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine

C59H38N2O — CID 137388368

IUPAC4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1
InChIInChI=1S/C59H38N2O/c1-3-16-39(17-4-1)41-30-34-43(35-31-41)54-38-55(44-36-32-42(33-37-44)40-18-5-2-6-19-40)61-58(60-54)49-23-8-7-20-45(49)48-24-15-28-53-57(48)62-56-29-14-13-27-52(56)59(53)50-25-11-9-21-46(50)47-22-10-12-26-51(47)59/h1-38H
InChIKeyDHGXLWYDVAXRSF-UHFFFAOYSA-N
MW790.97 g/mol
LogP14.95
Rot. Bonds6

About 4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine

4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine (PubChem CID 137388368) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is 4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
PubChem CID137388368
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC Name4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1
InChIInChI=1S/C59H38N2O/c1-3-16-39(17-4-1)41-30-34-43(35-31-41)54-38-55(44-36-32-42(33-37-44)40-18-5-2-6-19-40)61-58(60-54)49-23-8-7-20-45(49)48-24-15-28-53-57(48)62-56-29-14-13-27-52(56)59(53)50-25-11-9-21-46(50)47-22-10-12-26-51(47)59/h1-38H
InChIKeyDHGXLWYDVAXRSF-UHFFFAOYSA-N
XLogP14.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388366
2,4-bis(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 140947259
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 158213395
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947301
2,4-bis(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 130378990
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388535
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 137388315
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine
CID 130379985
2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388570
4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389218
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The IUPAC name of 4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine (CID 137388368) is 4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine.
What is the SMILES notation for 4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The canonical SMILES for 4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1.
What is the InChIKey of 4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The InChIKey is DHGXLWYDVAXRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O/c1-3-16-39(17-4-1)41-30-34-43(35-31-41)54-38-55(44-36-32-42(33-37-44)40-18-5-2-6-19-40)61-58(60-54)49-23-8-7-20-45(49)48-24-15-28-53-57(48)62-56-29-14-13-27-52(56)59(53)50-25-11-9-21-46(50)47-22-10-12-26-51(47)59/h1-38H.
What are the key properties of 4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine has a molecular weight of 790.97 g/mol, XLogP of 14.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine is sourced from PubChem (CID 137388368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).