4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine

C55H36N2O2 — CID 176917153

IUPAC4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)cc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)c3)cc21
InChIInChI=1S/C55H36N2O2/c1-55(2)44-21-8-6-17-38(44)39-27-25-37(31-45(39)55)35-16-10-15-34(29-35)36-26-28-49-43(30-36)53-42(20-12-24-51(53)59-49)54-56-46(33-13-4-3-5-14-33)32-47(57-54)40-19-11-23-50-52(40)41-18-7-9-22-48(41)58-50/h3-32H,1-2H3
InChIKeyIQRKKYUVPVYPIJ-UHFFFAOYSA-N
MW756.91 g/mol
LogP14.92
Rot. Bonds5

About 4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine

4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine (PubChem CID 176917153) has the molecular formula C55H36N2O2 and a molecular weight of 756.91 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine
PubChem CID176917153
Molecular FormulaC55H36N2O2
Molecular Weight756.91 g/mol
Exact Mass756.28
IUPAC Name4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)cc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)c3)cc21
InChIInChI=1S/C55H36N2O2/c1-55(2)44-21-8-6-17-38(44)39-27-25-37(31-45(39)55)35-16-10-15-34(29-35)36-26-28-49-43(30-36)53-42(20-12-24-51(53)59-49)54-56-46(33-13-4-3-5-14-33)32-47(57-54)40-19-11-23-50-52(40)41-18-7-9-22-48(41)58-50/h3-32H,1-2H3
InChIKeyIQRKKYUVPVYPIJ-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

2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369481
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369396
[7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane
CID 177088039
2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine
CID 142491326
4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168777430
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002602
2,4-bis(9,9-dimethylfluoren-2-yl)-6-[3-[3-(6-naphtho[2,1-b][1]benzofuran-10-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154613803
2,4-di(dibenzofuran-1-yl)-6-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368778
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

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine?
The IUPAC name of 4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine (CID 176917153) is 4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine?
The canonical SMILES for 4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)cc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)c3)cc21.
What is the InChIKey of 4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine?
The InChIKey is IQRKKYUVPVYPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O2/c1-55(2)44-21-8-6-17-38(44)39-27-25-37(31-45(39)55)35-16-10-15-34(29-35)36-26-28-49-43(30-36)53-42(20-12-24-51(53)59-49)54-56-46(33-13-4-3-5-14-33)32-47(57-54)40-19-11-23-50-52(40)41-18-7-9-22-48(41)58-50/h3-32H,1-2H3.
What are the key properties of 4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine?
4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine 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-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine is sourced from PubChem (CID 176917153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).