2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine

C46H29N3O — CID 130379985

IUPAC2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H29N3O/c1-3-15-30(16-4-1)41-29-42(49-45(48-41)31-17-5-2-6-18-31)40-27-14-26-39(47-40)34-21-13-25-38-44(34)50-43-28-12-11-24-37(43)46(38)35-22-9-7-19-32(35)33-20-8-10-23-36(33)46/h1-29H
InChIKeyQMOYNQBMXMESCL-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.01
Rot. Bonds4

About 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine

2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine (PubChem CID 130379985) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine
PubChem CID130379985
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H29N3O/c1-3-15-30(16-4-1)41-29-42(49-45(48-41)31-17-5-2-6-18-31)40-27-14-26-39(47-40)34-21-13-25-38-44(34)50-43-28-12-11-24-37(43)46(38)35-22-9-7-19-32(35)33-20-8-10-23-36(33)46/h1-29H
InChIKeyQMOYNQBMXMESCL-UHFFFAOYSA-N
XLogP11.01
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 140947259
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388535
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388366
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388774
2,4-bis(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 130378990
2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388570
4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388368
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947301
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947317
4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947149
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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine?
The IUPAC name of 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine (CID 130379985) is 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine?
The InChIKey is QMOYNQBMXMESCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-3-15-30(16-4-1)41-29-42(49-45(48-41)31-17-5-2-6-18-31)40-27-14-26-39(47-40)34-21-13-25-38-44(34)50-43-28-12-11-24-37(43)46(38)35-22-9-7-19-32(35)33-20-8-10-23-36(33)46/h1-29H.
What are the key properties of 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine?
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine has a molecular weight of 639.76 g/mol, XLogP of 11.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 130379985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).