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

C54H32O7 — CID 163708347

IUPAC6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)c5oc6ccccc6c5c4)c4ccccc4c3)c3ccccc23)c(O)c1O
InChIInChI=1S/C54H32O7/c55-48-47(49(56)51(58)52(59)50(48)57)46-36-18-5-3-16-34(36)45(35-17-4-6-19-37(35)46)30-24-28-12-1-2-13-31(28)40(27-30)29-25-41-33-15-8-10-23-44(33)61-54(41)42(26-29)39-21-11-20-38-32-14-7-9-22-43(32)60-53(38)39/h1-27,55-59H
InChIKeyKHAGYNFQVKHKCD-UHFFFAOYSA-N
MW792.84 g/mol
LogP14.14
Rot. Bonds4

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

6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol (PubChem CID 163708347) has the molecular formula C54H32O7 and a molecular weight of 792.84 g/mol. Its IUPAC name is 6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
PubChem CID163708347
Molecular FormulaC54H32O7
Molecular Weight792.84 g/mol
Exact Mass792.21
IUPAC Name6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)c5oc6ccccc6c5c4)c4ccccc4c3)c3ccccc23)c(O)c1O
InChIInChI=1S/C54H32O7/c55-48-47(49(56)51(58)52(59)50(48)57)46-36-18-5-3-16-34(36)45(35-17-4-6-19-37(35)46)30-24-28-12-1-2-13-31(28)40(27-30)29-25-41-33-15-8-10-23-44(33)61-54(41)42(26-29)39-21-11-20-38-32-14-7-9-22-43(32)60-53(38)39/h1-27,55-59H
InChIKeyKHAGYNFQVKHKCD-UHFFFAOYSA-N
XLogP14.14
TPSA127.43 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.84
LogP ≤ 514.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

3-iodo-6-[10-[4-(4-phenyldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,4,5-tetrol
CID 163467017
6-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163666775
4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 146652639
4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 166928345
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 122425870
4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 58194573
4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran
CID 167454705
6-[8-[10-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran-5-yl]benzene-1,2,3,4,5-pentol
CID 170281254
2-(10-naphthalen-1-ylanthracen-9-yl)-4-(4-phenylnaphthalen-2-yl)dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran
CID 158350567
4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050626
6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 167074603
4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 164758444

Frequently Asked Questions

What is the IUPAC name of 6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol (CID 163708347) is 6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2c3ccccc3c(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)c5oc6ccccc6c5c4)c4ccccc4c3)c3ccccc23)c(O)c1O.
What is the InChIKey of 6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The InChIKey is KHAGYNFQVKHKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32O7/c55-48-47(49(56)51(58)52(59)50(48)57)46-36-18-5-3-16-34(36)45(35-17-4-6-19-37(35)46)30-24-28-12-1-2-13-31(28)40(27-30)29-25-41-33-15-8-10-23-44(33)61-54(41)42(26-29)39-21-11-20-38-32-14-7-9-22-43(32)60-53(38)39/h1-27,55-59H.
What are the key properties of 6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 792.84 g/mol, XLogP of 14.14, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 163708347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).