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

C51H32N2O — CID 137389240

IUPAC4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C51H32N2O/c1-2-14-34(15-3-1)50-52-46(32-47(53-50)39-26-25-33-13-4-5-16-35(33)29-39)38-18-12-17-36(30-38)37-27-28-45-49(31-37)54-48-24-11-10-23-44(48)51(45)42-21-8-6-19-40(42)41-20-7-9-22-43(41)51/h1-32H
InChIKeyWVPDZFLAEUIPII-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.77
Rot. Bonds4

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

4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (PubChem CID 137389240) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
PubChem CID137389240
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C51H32N2O/c1-2-14-34(15-3-1)50-52-46(32-47(53-50)39-26-25-33-13-4-5-16-35(33)29-39)38-18-12-17-36(30-38)37-27-28-45-49(31-37)54-48-24-11-10-23-44(48)51(45)42-21-8-6-19-40(42)41-20-7-9-22-43(41)51/h1-32H
InChIKeyWVPDZFLAEUIPII-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

Analyze 4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
4-naphthalen-1-yl-6-[4-[7'-[4-[4-naphthalen-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-2-phenylpyrimidine
CID 167177909
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-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947149
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine
CID 167177922
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
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
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
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

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The IUPAC name of 4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (CID 137389240) is 4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.
What is the SMILES notation for 4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The canonical SMILES for 4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The InChIKey is WVPDZFLAEUIPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-2-14-34(15-3-1)50-52-46(32-47(53-50)39-26-25-33-13-4-5-16-35(33)29-39)38-18-12-17-36(30-38)37-27-28-45-49(31-37)54-48-24-11-10-23-44(48)51(45)42-21-8-6-19-40(42)41-20-7-9-22-43(41)51/h1-32H.
What are the key properties of 4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine 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-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is sourced from PubChem (CID 137389240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).