2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine

C47H32N2O — CID 137389233

IUPAC2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESC1=CC2=C(CC1)C1(c3ccccc3Oc3cc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc31)c1ccccc12
InChIInChI=1S/C47H32N2O/c1-3-14-31(15-4-1)42-30-43(49-46(48-42)32-16-5-2-6-17-32)35-19-13-18-33(28-35)34-26-27-41-45(29-34)50-44-25-12-11-24-40(44)47(41)38-22-9-7-20-36(38)37-21-8-10-23-39(37)47/h1-9,11-22,24-30H,10,23H2
InChIKeyFVXQLHUXDNLTLQ-UHFFFAOYSA-N
MW640.79 g/mol
LogP11.70
Rot. Bonds4

About 2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine

2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (PubChem CID 137389233) has the molecular formula C47H32N2O and a molecular weight of 640.79 g/mol. Its IUPAC name is 2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
PubChem CID137389233
Molecular FormulaC47H32N2O
Molecular Weight640.79 g/mol
Exact Mass640.25
IUPAC Name2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESC1=CC2=C(CC1)C1(c3ccccc3Oc3cc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc31)c1ccccc12
InChIInChI=1S/C47H32N2O/c1-3-14-31(15-4-1)42-30-43(49-46(48-42)32-16-5-2-6-17-32)35-19-13-18-33(28-35)34-26-27-41-45(29-34)50-44-25-12-11-24-40(44)47(41)38-22-9-7-20-36(38)37-21-8-10-23-39(37)47/h1-9,11-22,24-30H,10,23H2
InChIKeyFVXQLHUXDNLTLQ-UHFFFAOYSA-N
XLogP11.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzothiophen-3-yl-6-phenyl-2-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 155443161
4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442616
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
CID 155442879
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190
4,6-bis(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 157164289
4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389240
2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388685
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)cyclohexa-1,3-dien-1-yl]pyrimidine
CID 155443152
2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
CID 166650929
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The IUPAC name of 2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (CID 137389233) is 2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is C1=CC2=C(CC1)C1(c3ccccc3Oc3cc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc31)c1ccccc12.
What is the InChIKey of 2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The InChIKey is FVXQLHUXDNLTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2O/c1-3-14-31(15-4-1)42-30-43(49-46(48-42)32-16-5-2-6-17-32)35-19-13-18-33(28-35)34-26-27-41-45(29-34)50-44-25-12-11-24-40(44)47(41)38-22-9-7-20-36(38)37-21-8-10-23-39(37)47/h1-9,11-22,24-30H,10,23H2.
What are the key properties of 2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine has a molecular weight of 640.79 g/mol, XLogP of 11.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is sourced from PubChem (CID 137389233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).