4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine

C53H34N2O — CID 137389218

IUPAC4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/C53H34N2O/c1-3-16-35(17-4-1)37-20-15-21-39(32-37)49-34-48(36-18-5-2-6-19-36)54-52(55-49)43-25-8-7-22-40(43)38-30-31-47-51(33-38)56-50-29-14-13-28-46(50)53(47)44-26-11-9-23-41(44)42-24-10-12-27-45(42)53/h1-34H
InChIKeyGGESDLRNDJILGV-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.28
Rot. Bonds5

About 4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine

4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (PubChem CID 137389218) has the molecular formula C53H34N2O and a molecular weight of 714.87 g/mol. Its IUPAC name is 4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
PubChem CID137389218
Molecular FormulaC53H34N2O
Molecular Weight714.87 g/mol
Exact Mass714.27
IUPAC Name4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/C53H34N2O/c1-3-16-35(17-4-1)37-20-15-21-39(32-37)49-34-48(36-18-5-2-6-19-36)54-52(55-49)43-25-8-7-22-40(43)38-30-31-47-51(33-38)56-50-29-14-13-28-46(50)53(47)44-26-11-9-23-41(44)42-24-10-12-27-45(42)53/h1-34H
InChIKeyGGESDLRNDJILGV-UHFFFAOYSA-N
XLogP13.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
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-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-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389330
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 137388315
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
2,4-diphenyl-6-[2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 160865421
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
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947343
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 4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The IUPAC name of 4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (CID 137389218) is 4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.
What is the SMILES notation for 4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The canonical SMILES for 4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1.
What is the InChIKey of 4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The InChIKey is GGESDLRNDJILGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O/c1-3-16-35(17-4-1)37-20-15-21-39(32-37)49-34-48(36-18-5-2-6-19-36)54-52(55-49)43-25-8-7-22-40(43)38-30-31-47-51(33-38)56-50-29-14-13-28-46(50)53(47)44-26-11-9-23-41(44)42-24-10-12-27-45(42)53/h1-34H.
What are the key properties of 4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine has a molecular weight of 714.87 g/mol, XLogP of 13.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is sourced from PubChem (CID 137389218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).