2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine

C48H33NO — CID 146388732

IUPAC2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C48H33NO/c1-5-16-34(17-6-1)39-31-44(35-18-7-2-8-19-35)49-45(32-39)38-21-15-20-36(30-38)37-28-29-43-47(33-37)50-46-27-14-13-26-42(46)48(43,40-22-9-3-10-23-40)41-24-11-4-12-25-41/h1-33H
InChIKeyIFDOHNKFGZTUKN-UHFFFAOYSA-N
MW639.80 g/mol
LogP12.24
Rot. Bonds6

About 2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine

2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine (PubChem CID 146388732) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is 2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine
PubChem CID146388732
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC Name2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C48H33NO/c1-5-16-34(17-6-1)39-31-44(35-18-7-2-8-19-35)49-45(32-39)38-21-15-20-36(30-38)37-28-29-43-47(33-37)50-46-27-14-13-26-42(46)48(43,40-22-9-3-10-23-40)41-24-11-4-12-25-41/h1-33H
InChIKeyIFDOHNKFGZTUKN-UHFFFAOYSA-N
XLogP12.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146388734
2-[4-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146388551
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenylpyridine
CID 134272003
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
2,4-bis(4-phenylphenyl)-6-[2-(9-phenylxanthen-9-yl)phenyl]pyrimidine;2,4-diphenyl-6-[2-(9-phenylxanthen-9-yl)phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[2-(9-phenylxanthen-9-yl)phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[2-(9-phenylxanthen-9-yl)phenyl]pyrimidine
CID 159427874
4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389218
4-[4-[4-[3-(9,9-diphenylxanthen-3-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 163567648
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
CID 88886307
2-[3-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine
CID 146398143
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
9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene
CID 177298590

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine?
The IUPAC name of 2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine (CID 146388732) is 2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1.
What is the InChIKey of 2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine?
The InChIKey is IFDOHNKFGZTUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-5-16-34(17-6-1)39-31-44(35-18-7-2-8-19-35)49-45(32-39)38-21-15-20-36(30-38)37-28-29-43-47(33-37)50-46-27-14-13-26-42(46)48(43,40-22-9-3-10-23-40)41-24-11-4-12-25-41/h1-33H.
What are the key properties of 2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine?
2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine has a molecular weight of 639.80 g/mol, XLogP of 12.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 146388732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).