2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine

C56H35N3 — CID 130261371

IUPAC2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)nc1
InChIInChI=1S/C56H35N3/c1-2-16-40-36(14-1)15-13-22-41(40)37-27-29-38(30-28-37)55-58-53(35-54(59-55)52-26-11-12-33-57-52)39-31-32-51-47(34-39)43-18-4-3-17-42(43)44-19-5-8-23-48(44)56(51)49-24-9-6-20-45(49)46-21-7-10-25-50(46)56/h1-35H
InChIKeyHDMPXGLYWHICHK-UHFFFAOYSA-N
MW749.92 g/mol
LogP13.70
Rot. Bonds4

About 2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine

2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine (PubChem CID 130261371) has the molecular formula C56H35N3 and a molecular weight of 749.92 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine.

Molecular Properties

Compound Name2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
PubChem CID130261371
Molecular FormulaC56H35N3
Molecular Weight749.92 g/mol
Exact Mass749.28
IUPAC Name2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)nc1
InChIInChI=1S/C56H35N3/c1-2-16-40-36(14-1)15-13-22-41(40)37-27-29-38(30-28-37)55-58-53(35-54(59-55)52-26-11-12-33-57-52)39-31-32-51-47(34-39)43-18-4-3-17-42(43)44-19-5-8-23-48(44)56(51)49-24-9-6-20-45(49)46-21-7-10-25-50(46)56/h1-35H
InChIKeyHDMPXGLYWHICHK-UHFFFAOYSA-N
XLogP13.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.92
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine with MolForge

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Related Compounds

4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130261377
4-(4-naphthalen-1-ylphenyl)-6-phenyl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130261219
2-(4-naphthalen-1-ylphenyl)-4-pyridin-4-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 130261119
2-naphthalen-1-yl-4-(9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;2-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-dipyridin-2-yl-1,3,5-triazine;2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 158877636
4-(4-naphthalen-1-ylphenyl)-6-pyridin-3-yl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130261373
4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2-phenyl-6-pyridin-2-ylpyrimidine
CID 166995778
4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130261218
2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylpyrimidine
CID 153287659
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
2-(4-methylphenyl)-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130261417
2-(4-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146631999
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-pyridin-2-ylpyrimidine
CID 130261239

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine?
The IUPAC name of 2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine (CID 130261371) is 2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine.
What is the SMILES notation for 2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine?
The canonical SMILES for 2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine is c1ccc(-c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)nc1.
What is the InChIKey of 2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine?
The InChIKey is HDMPXGLYWHICHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3/c1-2-16-40-36(14-1)15-13-22-41(40)37-27-29-38(30-28-37)55-58-53(35-54(59-55)52-26-11-12-33-57-52)39-31-32-51-47(34-39)43-18-4-3-17-42(43)44-19-5-8-23-48(44)56(51)49-24-9-6-20-45(49)46-21-7-10-25-50(46)56/h1-35H.
What are the key properties of 2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine?
2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine has a molecular weight of 749.92 g/mol, XLogP of 13.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine is sourced from PubChem (CID 130261371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).