2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol

C45H32O3 — CID 145126487

IUPAC2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol
SMILESCc1c(C)c(O)c(-c2c3ccccc3c(-c3cccc4c(-c5cccc6oc7ccccc7c56)cccc34)c3ccccc23)c(C)c1O
InChIInChI=1S/C45H32O3/c1-25-26(2)45(47)40(27(3)44(25)46)43-35-15-6-4-13-33(35)41(34-14-5-7-16-36(34)43)31-21-11-18-28-29(31)19-10-20-30(28)32-22-12-24-39-42(32)37-17-8-9-23-38(37)48-39/h4-24,46-47H,1-3H3
InChIKeyCBJRQCULFSMUQD-UHFFFAOYSA-N
MW620.75 g/mol
LogP12.38
Rot. Bonds3

About 2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol

2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol (PubChem CID 145126487) has the molecular formula C45H32O3 and a molecular weight of 620.75 g/mol. Its IUPAC name is 2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol.

Molecular Properties

Compound Name2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol
PubChem CID145126487
Molecular FormulaC45H32O3
Molecular Weight620.75 g/mol
Exact Mass620.24
IUPAC Name2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol
SMILESCc1c(C)c(O)c(-c2c3ccccc3c(-c3cccc4c(-c5cccc6oc7ccccc7c56)cccc34)c3ccccc23)c(C)c1O
InChIInChI=1S/C45H32O3/c1-25-26(2)45(47)40(27(3)44(25)46)43-35-15-6-4-13-33(35)41(34-14-5-7-16-36(34)43)31-21-11-18-28-29(31)19-10-20-30(28)32-22-12-24-39-42(32)37-17-8-9-23-38(37)48-39/h4-24,46-47H,1-3H3
InChIKeyCBJRQCULFSMUQD-UHFFFAOYSA-N
XLogP12.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.75
LogP ≤ 512.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol 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

2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164781
6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163891273
1-[1,2,3,4,5,6,7,8-octamethyl-10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167347121
4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 154970869
6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163829940
1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167347086
7-(6-dibenzofuran-1-ylpyren-1-yl)naphthalene-1,2,3,4,5,6,8-heptol
CID 170244051
6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162712329
6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 167074603
6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 162140725
7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 130185376
2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol
CID 121360558

Frequently Asked Questions

What is the IUPAC name of 2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol?
The IUPAC name of 2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol (CID 145126487) is 2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol.
What is the SMILES notation for 2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol?
The canonical SMILES for 2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol is Cc1c(C)c(O)c(-c2c3ccccc3c(-c3cccc4c(-c5cccc6oc7ccccc7c56)cccc34)c3ccccc23)c(C)c1O.
What is the InChIKey of 2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol?
The InChIKey is CBJRQCULFSMUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32O3/c1-25-26(2)45(47)40(27(3)44(25)46)43-35-15-6-4-13-33(35)41(34-14-5-7-16-36(34)43)31-21-11-18-28-29(31)19-10-20-30(28)32-22-12-24-39-42(32)37-17-8-9-23-38(37)48-39/h4-24,46-47H,1-3H3.
What are the key properties of 2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol?
2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol has a molecular weight of 620.75 g/mol, XLogP of 12.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol is sourced from PubChem (CID 145126487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).