4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine

C51H32N2O — CID 158505780

IUPAC4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C51H32N2O/c1-2-14-35(15-3-1)45-32-46(36-28-25-34(26-29-36)38-30-27-33-13-4-5-16-37(33)31-38)53-50(52-45)40-18-12-22-44-49(40)39-17-6-7-19-41(39)51(44)42-20-8-10-23-47(42)54-48-24-11-9-21-43(48)51/h1-32H
InChIKeyCVDPOWDOOCJPLI-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.77
Rot. Bonds4

About 4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine

4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine (PubChem CID 158505780) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine.

Molecular Properties

Compound Name4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
PubChem CID158505780
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C51H32N2O/c1-2-14-35(15-3-1)45-32-46(36-28-25-34(26-29-36)38-30-27-33-13-4-5-16-37(33)31-38)53-50(52-45)40-18-12-22-44-49(40)39-17-6-7-19-41(39)51(44)42-20-8-10-23-47(42)54-48-24-11-9-21-43(48)51/h1-32H
InChIKeyCVDPOWDOOCJPLI-UHFFFAOYSA-N
XLogP12.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297864
4-phenyl-2-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
CID 146661051
4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389240
4,6-bis(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-naphthalen-2-yl-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-phenyl-6-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 158575823
4-naphthalen-2-yl-6-phenyl-2-[4-[4-[3-[2-[6-phenyl-2-[4-[4-[3-phenyl-5-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
CID 146343206
4,6-bis(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-naphthalen-2-yl-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine
CID 159580359
4-naphthalen-2-yl-2-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine;4-naphthalen-2-yl-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
CID 159959873
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]-2'-ylphenyl)phenyl]pyrimidine
CID 137388315
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 147850051

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine?
The IUPAC name of 4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine (CID 158505780) is 4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine.
What is the SMILES notation for 4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine?
The canonical SMILES for 4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine?
The InChIKey is CVDPOWDOOCJPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-2-14-35(15-3-1)45-32-46(36-28-25-34(26-29-36)38-30-27-33-13-4-5-16-37(33)31-38)53-50(52-45)40-18-12-22-44-49(40)39-17-6-7-19-41(39)51(44)42-20-8-10-23-47(42)54-48-24-11-9-21-43(48)51/h1-32H.
What are the key properties of 4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine?
4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine has a molecular weight of 688.83 g/mol, XLogP of 12.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine is sourced from PubChem (CID 158505780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).