2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine

C61H43NO — CID 167363047

IUPAC2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine
SMILESCc1cccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)ccn4)cc3)cc(-c3ccccc3-c3cccc(C)c3)c2)c1
InChIInChI=1S/C61H43NO/c1-40-13-11-15-46(33-40)52-18-4-7-21-55(52)49-35-48(36-50(37-49)56-22-8-5-19-53(56)47-16-12-14-41(2)34-47)54-20-6-3-17-51(54)42-25-27-43(28-26-42)59-38-45(31-32-62-59)44-29-30-58-57-23-9-10-24-60(57)63-61(58)39-44/h3-39H,1-2H3
InChIKeyPJBXCGSMPIKWHX-UHFFFAOYSA-N
MW806.02 g/mol
LogP16.93
Rot. Bonds8

About 2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine

2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine (PubChem CID 167363047) has the molecular formula C61H43NO and a molecular weight of 806.02 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine
PubChem CID167363047
Molecular FormulaC61H43NO
Molecular Weight806.02 g/mol
Exact Mass805.33
IUPAC Name2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine
SMILESCc1cccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)ccn4)cc3)cc(-c3ccccc3-c3cccc(C)c3)c2)c1
InChIInChI=1S/C61H43NO/c1-40-13-11-15-46(33-40)52-18-4-7-21-55(52)49-35-48(36-50(37-49)56-22-8-5-19-53(56)47-16-12-14-41(2)34-47)54-20-6-3-17-51(54)42-25-27-43(28-26-42)59-38-45(31-32-62-59)44-29-30-58-57-23-9-10-24-60(57)63-61(58)39-44/h3-39H,1-2H3
InChIKeyPJBXCGSMPIKWHX-UHFFFAOYSA-N
XLogP16.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.02
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methylphenyl)dibenzofuran
CID 70924364
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
4-(3-methylphenyl)-2-(4-methylphenyl)pyridine
CID 118345294
2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine
CID 153458075
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+)
CID 153457928
2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 165148195
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171584875
2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 159977483
4-[3-dibenzofuran-3-yl-5-(2-naphthalen-1-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583522
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+))
CID 158008151
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-2-naphthalen-2-yl-6-phenylpyrimidine
CID 171584547

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine (CID 167363047) is 2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine is Cc1cccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)ccn4)cc3)cc(-c3ccccc3-c3cccc(C)c3)c2)c1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine?
The InChIKey is PJBXCGSMPIKWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43NO/c1-40-13-11-15-46(33-40)52-18-4-7-21-55(52)49-35-48(36-50(37-49)56-22-8-5-19-53(56)47-16-12-14-41(2)34-47)54-20-6-3-17-51(54)42-25-27-43(28-26-42)59-38-45(31-32-62-59)44-29-30-58-57-23-9-10-24-60(57)63-61(58)39-44/h3-39H,1-2H3.
What are the key properties of 2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine?
2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine has a molecular weight of 806.02 g/mol, XLogP of 16.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine is sourced from PubChem (CID 167363047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).