4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine

C53H36N2O — CID 171585610

IUPAC4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5cc6ccccc6c6oc7ccccc7c56)c4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C53H36N2O/c1-53(2)45-23-13-11-21-41(45)42-26-25-36(31-46(42)53)47-32-48(55-52(54-47)34-17-7-4-8-18-34)39-28-37(33-15-5-3-6-16-33)27-38(29-39)44-30-35-19-9-10-20-40(35)51-50(44)43-22-12-14-24-49(43)56-51/h3-32H,1-2H3
InChIKeyFUYQKMBSZJIGPP-UHFFFAOYSA-N
MW716.88 g/mol
LogP14.17
Rot. Bonds5

About 4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine

4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine (PubChem CID 171585610) has the molecular formula C53H36N2O and a molecular weight of 716.88 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine
PubChem CID171585610
Molecular FormulaC53H36N2O
Molecular Weight716.88 g/mol
Exact Mass716.28
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5cc6ccccc6c6oc7ccccc7c56)c4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C53H36N2O/c1-53(2)45-23-13-11-21-41(45)42-26-25-36(31-46(42)53)47-32-48(55-52(54-47)34-17-7-4-8-18-34)39-28-37(33-15-5-3-6-16-33)27-38(29-39)44-30-35-19-9-10-20-40(35)51-50(44)43-22-12-14-24-49(43)56-51/h3-32H,1-2H3
InChIKeyFUYQKMBSZJIGPP-UHFFFAOYSA-N
XLogP14.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.88
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584080
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171583008
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 160795004
4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171585677
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171583039
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584829
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162775179
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491033
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171583328
2-dibenzofuran-4-yl-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614151
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171585138

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine (CID 171585610) is 4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5cc6ccccc6c6oc7ccccc7c56)c4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine?
The InChIKey is FUYQKMBSZJIGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2O/c1-53(2)45-23-13-11-21-41(45)42-26-25-36(31-46(42)53)47-32-48(55-52(54-47)34-17-7-4-8-18-34)39-28-37(33-15-5-3-6-16-33)27-38(29-39)44-30-35-19-9-10-20-40(35)51-50(44)43-22-12-14-24-49(43)56-51/h3-32H,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine?
4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine has a molecular weight of 716.88 g/mol, XLogP of 14.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 171585610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).