4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine

C51H34N2O — CID 155442616

IUPAC4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
SMILESC1=CC2=C(CC1)C1(c3ccccc3Oc3c(-c4ccc(-c5nc(-c6ccccc6)cc(-c6cccc7ccccc67)n5)cc4)cccc31)c1ccccc12
InChIInChI=1S/C51H34N2O/c1-2-15-35(16-3-1)46-32-47(41-22-12-17-33-14-4-5-18-37(33)41)53-50(52-46)36-30-28-34(29-31-36)38-21-13-26-45-49(38)54-48-27-11-10-25-44(48)51(45)42-23-8-6-19-39(42)40-20-7-9-24-43(40)51/h1-8,10-23,25-32H,9,24H2
InChIKeyLCQFLYYASULDQG-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.86
Rot. Bonds4

About 4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine

4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine (PubChem CID 155442616) has the molecular formula C51H34N2O and a molecular weight of 690.85 g/mol. Its IUPAC name is 4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
PubChem CID155442616
Molecular FormulaC51H34N2O
Molecular Weight690.85 g/mol
Exact Mass690.27
IUPAC Name4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
SMILESC1=CC2=C(CC1)C1(c3ccccc3Oc3c(-c4ccc(-c5nc(-c6ccccc6)cc(-c6cccc7ccccc67)n5)cc4)cccc31)c1ccccc12
InChIInChI=1S/C51H34N2O/c1-2-15-35(16-3-1)46-32-47(41-22-12-17-33-14-4-5-18-37(33)41)53-50(52-46)36-30-28-34(29-31-36)38-21-13-26-45-49(38)54-48-27-11-10-25-44(48)51(45)42-23-8-6-19-39(42)40-20-7-9-24-43(40)51/h1-8,10-23,25-32H,9,24H2
InChIKeyLCQFLYYASULDQG-UHFFFAOYSA-N
XLogP12.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389233
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-phenanthren-2-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 130379891
4-[7'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]benzonitrile
CID 139476057
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
4-dibenzothiophen-3-yl-6-phenyl-2-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 155443161
2,4-bis(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 140947259
4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947149
CID 146184431
CID 146184431
4-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 166995669
4-dibenzofuran-3-yl-2-[4-[4-[5-[2-[4-[3-[3-[6-naphthalen-1-yl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-phenylpyrimidin-4-yl]-8-phenylnaphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-phenylpyrimidine
CID 167177954
4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine
CID 155054872

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The IUPAC name of 4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine (CID 155442616) is 4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine.
What is the SMILES notation for 4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The canonical SMILES for 4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine is C1=CC2=C(CC1)C1(c3ccccc3Oc3c(-c4ccc(-c5nc(-c6ccccc6)cc(-c6cccc7ccccc67)n5)cc4)cccc31)c1ccccc12.
What is the InChIKey of 4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The InChIKey is LCQFLYYASULDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O/c1-2-15-35(16-3-1)46-32-47(41-22-12-17-33-14-4-5-18-37(33)41)53-50(52-46)36-30-28-34(29-31-36)38-21-13-26-45-49(38)54-48-27-11-10-25-44(48)51(45)42-23-8-6-19-39(42)40-20-7-9-24-43(40)51/h1-8,10-23,25-32H,9,24H2.
What are the key properties of 4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine has a molecular weight of 690.85 g/mol, XLogP of 12.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine is sourced from PubChem (CID 155442616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).