4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine

C55H36N2O2 — CID 126543799

IUPAC4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)n3)cccc21
InChIInChI=1S/C55H36N2O2/c1-55(2)45-20-6-3-18-41(45)53-42(19-11-21-46(53)55)54-56-47(37-14-9-12-33(28-37)35-24-26-51-43(30-35)39-16-4-7-22-49(39)58-51)32-48(57-54)38-15-10-13-34(29-38)36-25-27-52-44(31-36)40-17-5-8-23-50(40)59-52/h3-32H,1-2H3
InChIKeyXIZWVDDYKHHHGN-UHFFFAOYSA-N
MW756.91 g/mol
LogP14.92
Rot. Bonds5

About 4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine

4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine (PubChem CID 126543799) has the molecular formula C55H36N2O2 and a molecular weight of 756.91 g/mol. Its IUPAC name is 4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine
PubChem CID126543799
Molecular FormulaC55H36N2O2
Molecular Weight756.91 g/mol
Exact Mass756.28
IUPAC Name4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)n3)cccc21
InChIInChI=1S/C55H36N2O2/c1-55(2)45-20-6-3-18-41(45)53-42(19-11-21-46(53)55)54-56-47(37-14-9-12-33(28-37)35-24-26-51-43(30-35)39-16-4-7-22-49(39)58-51)32-48(57-54)38-15-10-13-34(29-38)36-25-27-52-44(31-36)40-17-5-8-23-50(40)59-52/h3-32H,1-2H3
InChIKeyXIZWVDDYKHHHGN-UHFFFAOYSA-N
XLogP14.92
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-6-(9-methyl-9-phenylfluoren-2-yl)pyrimidine
CID 171603914
2-dibenzofuran-3-yl-4,6-diphenylpyrimidine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158848714
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584829
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-naphthalen-2-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171583955
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171583701
4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168777430
2-dibenzofuran-2-yl-4-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 163722248
6-[3-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 142487678
4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171582716
4-[3-dibenzofuran-2-yl-5-(2-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584389
4-dibenzofuran-2-yl-6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 176794241

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine?
The IUPAC name of 4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine (CID 126543799) is 4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine.
What is the SMILES notation for 4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine?
The canonical SMILES for 4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine is CC1(C)c2ccccc2-c2c(-c3nc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)n3)cccc21.
What is the InChIKey of 4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine?
The InChIKey is XIZWVDDYKHHHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O2/c1-55(2)45-20-6-3-18-41(45)53-42(19-11-21-46(53)55)54-56-47(37-14-9-12-33(28-37)35-24-26-51-43(30-35)39-16-4-7-22-49(39)58-51)32-48(57-54)38-15-10-13-34(29-38)36-25-27-52-44(31-36)40-17-5-8-23-50(40)59-52/h3-32H,1-2H3.
What are the key properties of 4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine?
4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine has a molecular weight of 756.91 g/mol, XLogP of 14.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine is sourced from PubChem (CID 126543799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).