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

C58H37N3O — CID 167178504

IUPAC4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4cc(-c6cccc(-c7ccccn7)c6)ccc4C54c5ccccc5Oc5ccccc54)c3)n2)cc1
InChIInChI=1S/C58H37N3O/c1-3-15-38(16-4-1)53-37-54(39-17-5-2-6-18-39)61-57(60-53)45-22-14-20-41(34-45)43-29-31-49-47(36-43)46-35-42(40-19-13-21-44(33-40)52-25-11-12-32-59-52)28-30-48(46)58(49)50-23-7-9-26-55(50)62-56-27-10-8-24-51(56)58/h1-37H
InChIKeyNVCCZZCYSVWDPI-UHFFFAOYSA-N
MW791.95 g/mol
LogP14.34
Rot. Bonds6

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

4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine (PubChem CID 167178504) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine
PubChem CID167178504
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC Name4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4cc(-c6cccc(-c7ccccn7)c6)ccc4C54c5ccccc5Oc5ccccc54)c3)n2)cc1
InChIInChI=1S/C58H37N3O/c1-3-15-38(16-4-1)53-37-54(39-17-5-2-6-18-39)61-57(60-53)45-22-14-20-41(34-45)43-29-31-49-47(36-43)46-35-42(40-19-13-21-44(33-40)52-25-11-12-32-59-52)28-30-48(46)58(49)50-23-7-9-26-55(50)62-56-27-10-8-24-51(56)58/h1-37H
InChIKeyNVCCZZCYSVWDPI-UHFFFAOYSA-N
XLogP14.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-diphenyl-2-[4-[7-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]pyrimidine
CID 167177967
2-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297722
2-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297762
2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 167178462
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
8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline
CID 146547263
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
4-phenyl-2-(3-pyridin-2-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 167177109
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 130380006
2-phenyl-4-[3-[6-[4-[4-(3-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 139307625
8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 164954461
2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 146549517

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine (CID 167178504) is 4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4cc(-c6cccc(-c7ccccn7)c6)ccc4C54c5ccccc5Oc5ccccc54)c3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine?
The InChIKey is NVCCZZCYSVWDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-3-15-38(16-4-1)53-37-54(39-17-5-2-6-18-39)61-57(60-53)45-22-14-20-41(34-45)43-29-31-49-47(36-43)46-35-42(40-19-13-21-44(33-40)52-25-11-12-32-59-52)28-30-48(46)58(49)50-23-7-9-26-55(50)62-56-27-10-8-24-51(56)58/h1-37H.
What are the key properties of 4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine?
4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine has a molecular weight of 791.95 g/mol, XLogP of 14.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine is sourced from PubChem (CID 167178504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).