2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine

C47H32N2O — CID 140758618

IUPAC2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine
SMILESc1ccc(-c2ccc(-c3cccc(C4(c5cccc(-c6ccc(-c7ccccc7)cc6)n5)c5ccccc5Oc5ccccc54)n3)cc2)cc1
InChIInChI=1S/C47H32N2O/c1-3-13-33(14-4-1)35-25-29-37(30-26-35)41-19-11-23-45(48-41)47(39-17-7-9-21-43(39)50-44-22-10-8-18-40(44)47)46-24-12-20-42(49-46)38-31-27-36(28-32-38)34-15-5-2-6-16-34/h1-32H
InChIKeyGWUZWFQKDOGSLU-UHFFFAOYSA-N
MW640.79 g/mol
LogP11.63
Rot. Bonds6

About 2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine

2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine (PubChem CID 140758618) has the molecular formula C47H32N2O and a molecular weight of 640.79 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine.

Molecular Properties

Compound Name2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine
PubChem CID140758618
Molecular FormulaC47H32N2O
Molecular Weight640.79 g/mol
Exact Mass640.25
IUPAC Name2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine
SMILESc1ccc(-c2ccc(-c3cccc(C4(c5cccc(-c6ccc(-c7ccccc7)cc6)n5)c5ccccc5Oc5ccccc54)n3)cc2)cc1
InChIInChI=1S/C47H32N2O/c1-3-13-33(14-4-1)35-25-29-37(30-26-35)41-19-11-23-45(48-41)47(39-17-7-9-21-43(39)50-44-22-10-8-18-40(44)47)46-24-12-20-42(49-46)38-31-27-36(28-32-38)34-15-5-2-6-16-34/h1-32H
InChIKeyGWUZWFQKDOGSLU-UHFFFAOYSA-N
XLogP11.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-[9-[6-(3-cyanophenyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]benzonitrile
CID 71261603
2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane
CID 159322657
2-phenyl-6-[9-(6-phenyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine
CID 71261610
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
10-phenyl-9,9-bis(6-phenyl-2-pyridinyl)acridine
CID 71261593
2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine
CID 146388732
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297845
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947343
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-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine?
The IUPAC name of 2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine (CID 140758618) is 2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine.
What is the SMILES notation for 2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine?
The canonical SMILES for 2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine is c1ccc(-c2ccc(-c3cccc(C4(c5cccc(-c6ccc(-c7ccccc7)cc6)n5)c5ccccc5Oc5ccccc54)n3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine?
The InChIKey is GWUZWFQKDOGSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2O/c1-3-13-33(14-4-1)35-25-29-37(30-26-35)41-19-11-23-45(48-41)47(39-17-7-9-21-43(39)50-44-22-10-8-18-40(44)47)46-24-12-20-42(49-46)38-31-27-36(28-32-38)34-15-5-2-6-16-34/h1-32H.
What are the key properties of 2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine?
2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine has a molecular weight of 640.79 g/mol, XLogP of 11.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine is sourced from PubChem (CID 140758618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).