2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine

C53H32N2O — CID 155048189

IUPAC2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3cccc4c3-c3ccccc3[C@@]43c4ccccc4-c4oc5ccccc5c43)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C53H32N2O/c1-2-16-34(17-3-1)46-32-47(55-52(54-46)36-30-29-33-15-4-5-18-35(33)31-36)38-20-7-6-19-37(38)39-24-14-27-45-49(39)40-21-8-11-25-43(40)53(45)44-26-12-9-22-41(44)51-50(53)42-23-10-13-28-48(42)56-51/h1-32H/t53-/m1/s1
InChIKeyDYJLCHUZHHSOSE-IONAWPRUSA-N
MW712.85 g/mol
LogP13.39
Rot. Bonds4

About 2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine

2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine (PubChem CID 155048189) has the molecular formula C53H32N2O and a molecular weight of 712.85 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine
PubChem CID155048189
Molecular FormulaC53H32N2O
Molecular Weight712.85 g/mol
Exact Mass712.25
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3cccc4c3-c3ccccc3[C@@]43c4ccccc4-c4oc5ccccc5c43)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C53H32N2O/c1-2-16-34(17-3-1)46-32-47(55-52(54-46)36-30-29-33-15-4-5-18-35(33)31-36)38-20-7-6-19-37(38)39-24-14-27-45-49(39)40-21-8-11-25-43(40)53(45)44-26-12-9-22-41(44)51-50(53)42-23-10-13-28-48(42)56-51/h1-32H/t53-/m1/s1
InChIKeyDYJLCHUZHHSOSE-IONAWPRUSA-N
XLogP13.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.85
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine
CID 134529155
CID 129023376
CID 129023376
2,4-diphenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2-naphthalen-1-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylphenyl)-1,3,5-triazine
CID 159078190
4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine
CID 158617039
4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171583955
4-(3-dibenzofuran-2-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603030
4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602182
2,4-dinaphthalen-2-yl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 142356274
4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556
2,4-diphenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-ylphenyl)-1,3,5-triazine;4-naphthalen-1-yl-6-phenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1-yl-1,3,5-triazine
CID 158895403
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-(3-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779837
4-dibenzofuran-1-yl-6-phenyl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine
CID 147940366

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine (CID 155048189) is 2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3-c3cccc4c3-c3ccccc3[C@@]43c4ccccc4-c4oc5ccccc5c43)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine?
The InChIKey is DYJLCHUZHHSOSE-IONAWPRUSA-N. The full InChI is InChI=1S/C53H32N2O/c1-2-16-34(17-3-1)46-32-47(55-52(54-46)36-30-29-33-15-4-5-18-35(33)31-36)38-20-7-6-19-37(38)39-24-14-27-45-49(39)40-21-8-11-25-43(40)53(45)44-26-12-9-22-41(44)51-50(53)42-23-10-13-28-48(42)56-51/h1-32H/t53-/m1/s1.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine?
2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine has a molecular weight of 712.85 g/mol, XLogP of 13.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine is sourced from PubChem (CID 155048189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).