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

C36H24O5 — CID 126632955

IUPAC6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc23)c(O)c1O
InChIInChI=1S/C36H24O5/c37-32-31(33(38)35(40)36(41)34(32)39)30-27-14-5-3-12-25(27)29(26-13-4-6-15-28(26)30)24-11-7-10-22(19-24)23-17-16-20-8-1-2-9-21(20)18-23/h1-19,37-41H
InChIKeySTHBQFNRXWKAJU-UHFFFAOYSA-N
MW536.58 g/mol
LogP8.68
Rot. Bonds3

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

6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol (PubChem CID 126632955) has the molecular formula C36H24O5 and a molecular weight of 536.58 g/mol. Its IUPAC name is 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
PubChem CID126632955
Molecular FormulaC36H24O5
Molecular Weight536.58 g/mol
Exact Mass536.16
IUPAC Name6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc23)c(O)c1O
InChIInChI=1S/C36H24O5/c37-32-31(33(38)35(40)36(41)34(32)39)30-27-14-5-3-12-25(27)29(26-13-4-6-15-28(26)30)24-11-7-10-22(19-24)23-17-16-20-8-1-2-9-21(20)18-23/h1-19,37-41H
InChIKeySTHBQFNRXWKAJU-UHFFFAOYSA-N
XLogP8.68
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.58
LogP ≤ 58.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol
CID 155392957
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825

Frequently Asked Questions

What is the IUPAC name of 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol (CID 126632955) is 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc23)c(O)c1O.
What is the InChIKey of 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The InChIKey is STHBQFNRXWKAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O5/c37-32-31(33(38)35(40)36(41)34(32)39)30-27-14-5-3-12-25(27)29(26-13-4-6-15-28(26)30)24-11-7-10-22(19-24)23-17-16-20-8-1-2-9-21(20)18-23/h1-19,37-41H.
What are the key properties of 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 536.58 g/mol, XLogP of 8.68, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 126632955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).