4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine

C60H41N2O+ — CID 142509797

IUPAC4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine
SMILESCc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc3-4)cc(-c3ccccc3)[nH+]2)cc1
InChIInChI=1S/C60H40N2O/c1-39-25-27-43(28-26-39)57-38-47(37-56(62-57)42-19-9-4-10-20-42)45-30-32-49-48-31-29-44(46-35-54(40-15-5-2-6-16-40)61-55(36-46)41-17-7-3-8-18-41)33-52(48)60(53(49)34-45)50-21-11-13-23-58(50)63-59-24-14-12-22-51(59)60/h2-38H,1H3/p+1
InChIKeyWOCQHOGKZMBTCT-UHFFFAOYSA-O
MW806.00 g/mol
LogP14.67
Rot. Bonds6

About 4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine

4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine (PubChem CID 142509797) has the molecular formula C60H41N2O+ and a molecular weight of 806.00 g/mol. Its IUPAC name is 4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine
PubChem CID142509797
Molecular FormulaC60H41N2O+
Molecular Weight806.00 g/mol
Exact Mass805.32
IUPAC Name4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine
SMILESCc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc3-4)cc(-c3ccccc3)[nH+]2)cc1
InChIInChI=1S/C60H40N2O/c1-39-25-27-43(28-26-39)57-38-47(37-56(62-57)42-19-9-4-10-20-42)45-30-32-49-48-31-29-44(46-35-54(40-15-5-2-6-16-40)61-55(36-46)41-17-7-3-8-18-41)33-52(48)60(53(49)34-45)50-21-11-13-23-58(50)63-59-24-14-12-22-51(59)60/h2-38H,1H3/p+1
InChIKeyWOCQHOGKZMBTCT-UHFFFAOYSA-O
XLogP14.67
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.00
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[7-(2,6-dipyridin-4-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 164793165
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
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
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170243199
2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623
2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 163776996
4-(17-phenylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene]-11-yl)pyridine
CID 134571333
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
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
CID 91153599

Frequently Asked Questions

What is the IUPAC name of 4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine?
The IUPAC name of 4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine (CID 142509797) is 4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine is Cc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc3-4)cc(-c3ccccc3)[nH+]2)cc1.
What is the InChIKey of 4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine?
The InChIKey is WOCQHOGKZMBTCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C60H40N2O/c1-39-25-27-43(28-26-39)57-38-47(37-56(62-57)42-19-9-4-10-20-42)45-30-32-49-48-31-29-44(46-35-54(40-15-5-2-6-16-40)61-55(36-46)41-17-7-3-8-18-41)33-52(48)60(53(49)34-45)50-21-11-13-23-58(50)63-59-24-14-12-22-51(59)60/h2-38H,1H3/p+1.
What are the key properties of 4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine?
4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine has a molecular weight of 806.00 g/mol, XLogP of 14.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine is sourced from PubChem (CID 142509797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).