6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol

C48H30O6 — CID 163829940

IUPAC6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3ccc(-c4cc(-c5ccccc5)cc5oc6ccccc6c45)c4ccccc34)c3ccccc23)c(O)c1O
InChIInChI=1S/C48H30O6/c49-44-43(45(50)47(52)48(53)46(44)51)42-33-18-8-6-16-31(33)40(32-17-7-9-19-34(32)42)35-23-22-30(28-14-4-5-15-29(28)35)37-24-27(26-12-2-1-3-13-26)25-39-41(37)36-20-10-11-21-38(36)54-39/h1-25,49-53H
InChIKeyOCUYZNFWJDWSDC-UHFFFAOYSA-N
MW702.76 g/mol
LogP12.24
Rot. Bonds4

About 6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol

6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol (PubChem CID 163829940) has the molecular formula C48H30O6 and a molecular weight of 702.76 g/mol. Its IUPAC name is 6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
PubChem CID163829940
Molecular FormulaC48H30O6
Molecular Weight702.76 g/mol
Exact Mass702.20
IUPAC Name6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3ccc(-c4cc(-c5ccccc5)cc5oc6ccccc6c45)c4ccccc34)c3ccccc23)c(O)c1O
InChIInChI=1S/C48H30O6/c49-44-43(45(50)47(52)48(53)46(44)51)42-33-18-8-6-16-31(33)40(32-17-7-9-19-34(32)42)35-23-22-30(28-14-4-5-15-29(28)35)37-24-27(26-12-2-1-3-13-26)25-39-41(37)36-20-10-11-21-38(36)54-39/h1-25,49-53H
InChIKeyOCUYZNFWJDWSDC-UHFFFAOYSA-N
XLogP12.24
TPSA114.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.76
LogP ≤ 512.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 162140725
6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163891273
CID 174009857
CID 174009857
3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878
CID 174138536
CID 174138536
6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 167074603
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran
CID 170363981
6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 146650073
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915
1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran
CID 176639419
2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164781

Frequently Asked Questions

What is the IUPAC name of 6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol (CID 163829940) is 6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2c3ccccc3c(-c3ccc(-c4cc(-c5ccccc5)cc5oc6ccccc6c45)c4ccccc34)c3ccccc23)c(O)c1O.
What is the InChIKey of 6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The InChIKey is OCUYZNFWJDWSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O6/c49-44-43(45(50)47(52)48(53)46(44)51)42-33-18-8-6-16-31(33)40(32-17-7-9-19-34(32)42)35-23-22-30(28-14-4-5-15-29(28)35)37-24-27(26-12-2-1-3-13-26)25-39-41(37)36-20-10-11-21-38(36)54-39/h1-25,49-53H.
What are the key properties of 6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 702.76 g/mol, XLogP of 12.24, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 163829940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).