2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran

C75H50O3 — CID 123626213

IUPAC2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran
SMILESCc1cccc(-c2cc(-c3ccc(-c4cccc(-c5cc(-c6ccc(-c7cc(C)cc(-c8cc(-c9ccccc9)cc9c8oc8ccccc89)c7)c(C)c6)cc6c5oc5ccccc56)c4)cc3)cc3c2oc2ccccc23)c1
InChIInChI=1S/C75H50O3/c1-45-15-13-19-53(33-45)64-39-56(43-67-61-21-7-10-24-70(61)76-73(64)67)50-29-27-49(28-30-50)51-18-14-20-54(37-51)65-41-57(44-69-63-23-9-11-25-71(63)77-74(65)69)52-31-32-60(47(3)36-52)58-34-46(2)35-59(38-58)66-40-55(48-16-5-4-6-17-48)42-68-62-22-8-12-26-72(62)78-75(66)68/h4-44H,1-3H3
InChIKeyXJQNLLBUPDVNHA-UHFFFAOYSA-N
MW999.22 g/mol
LogP21.65
Rot. Bonds8

About 2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran

2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran (PubChem CID 123626213) has the molecular formula C75H50O3 and a molecular weight of 999.22 g/mol. Its IUPAC name is 2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran
PubChem CID123626213
Molecular FormulaC75H50O3
Molecular Weight999.22 g/mol
Exact Mass998.38
IUPAC Name2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran
SMILESCc1cccc(-c2cc(-c3ccc(-c4cccc(-c5cc(-c6ccc(-c7cc(C)cc(-c8cc(-c9ccccc9)cc9c8oc8ccccc89)c7)c(C)c6)cc6c5oc5ccccc56)c4)cc3)cc3c2oc2ccccc23)c1
InChIInChI=1S/C75H50O3/c1-45-15-13-19-53(33-45)64-39-56(43-67-61-21-7-10-24-70(61)76-73(64)67)50-29-27-49(28-30-50)51-18-14-20-54(37-51)65-41-57(44-69-63-23-9-11-25-71(63)77-74(65)69)52-31-32-60(47(3)36-52)58-34-46(2)35-59(38-58)66-40-55(48-16-5-4-6-17-48)42-68-62-22-8-12-26-72(62)78-75(66)68/h4-44H,1-3H3
InChIKeyXJQNLLBUPDVNHA-UHFFFAOYSA-N
XLogP21.65
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.22
LogP ≤ 521.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran 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

6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161457454
methane;2-methyl-6-[3-(8-methyldibenzofuran-4-yl)phenyl]dibenzofuran;4-methyl-6-[3-(6-methyldibenzofuran-4-yl)phenyl]dibenzofuran;6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161126679
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
2,4-diphenyl-6-[7-[4-(3-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378711
2-phenyl-4-[7-(2-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378592
9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole
CID 168837481
2-[2-methyl-4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]triphenylene
CID 123442810
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline
CID 129311258
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-4-yl]phenyl]pyrimidine
CID 153289566
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran?
The IUPAC name of 2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran (CID 123626213) is 2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran?
The canonical SMILES for 2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran is Cc1cccc(-c2cc(-c3ccc(-c4cccc(-c5cc(-c6ccc(-c7cc(C)cc(-c8cc(-c9ccccc9)cc9c8oc8ccccc89)c7)c(C)c6)cc6c5oc5ccccc56)c4)cc3)cc3c2oc2ccccc23)c1.
What is the InChIKey of 2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran?
The InChIKey is XJQNLLBUPDVNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50O3/c1-45-15-13-19-53(33-45)64-39-56(43-67-61-21-7-10-24-70(61)76-73(64)67)50-29-27-49(28-30-50)51-18-14-20-54(37-51)65-41-57(44-69-63-23-9-11-25-71(63)77-74(65)69)52-31-32-60(47(3)36-52)58-34-46(2)35-59(38-58)66-40-55(48-16-5-4-6-17-48)42-68-62-22-8-12-26-72(62)78-75(66)68/h4-44H,1-3H3.
What are the key properties of 2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran?
2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran has a molecular weight of 999.22 g/mol, XLogP of 21.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 123626213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).