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

C36H24O5 — CID 162006914

IUPAC6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)c(O)c1O
InChIInChI=1S/C36H24O5/c37-32-30(33(38)35(40)36(41)34(32)39)22-18-16-21(17-19-22)29-25-11-3-5-13-27(25)31(28-14-6-4-12-26(28)29)24-15-7-9-20-8-1-2-10-23(20)24/h1-19,37-41H
InChIKeyYSYKWDZDUJKKOK-UHFFFAOYSA-N
MW536.58 g/mol
LogP8.68
Rot. Bonds3

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

6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol (PubChem CID 162006914) has the molecular formula C36H24O5 and a molecular weight of 536.58 g/mol. Its IUPAC name is 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol
PubChem CID162006914
Molecular FormulaC36H24O5
Molecular Weight536.58 g/mol
Exact Mass536.16
IUPAC Name6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)c(O)c1O
InChIInChI=1S/C36H24O5/c37-32-30(33(38)35(40)36(41)34(32)39)22-18-16-21(17-19-22)29-25-11-3-5-13-27(25)31(28-14-6-4-12-26(28)29)24-15-7-9-20-8-1-2-10-23(20)24/h1-19,37-41H
InChIKeyYSYKWDZDUJKKOK-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'}

Analyze 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol 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

9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene
CID 145157949
6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol
CID 144837195
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 172546641
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline
CID 89281033

Frequently Asked Questions

What is the IUPAC name of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol (CID 162006914) is 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)c(O)c1O.
What is the InChIKey of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol?
The InChIKey is YSYKWDZDUJKKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O5/c37-32-30(33(38)35(40)36(41)34(32)39)22-18-16-21(17-19-22)29-25-11-3-5-13-27(25)31(28-14-6-4-12-26(28)29)24-15-7-9-20-8-1-2-10-23(20)24/h1-19,37-41H.
What are the key properties of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol?
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 162006914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).