6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol

C46H34O5 — CID 144837300

IUPAC6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESC/C=C\c1cc(-c2ccc(-c3cccc4ccc(-c5c6ccccc6c(-c6c(O)c(O)c(O)c(O)c6O)c6ccccc56)cc34)cc2)ccc1C
InChIInChI=1S/C46H34O5/c1-3-9-30-24-31(17-16-26(30)2)27-18-20-29(21-19-27)33-15-8-10-28-22-23-32(25-38(28)33)39-34-11-4-6-13-36(34)40(37-14-7-5-12-35(37)39)41-42(47)44(49)46(51)45(50)43(41)48/h3-25,47-51H,1-2H3/b9-3-
InChIKeySOIYUAXASJMBGG-OQFOIZHKSA-N
MW666.77 g/mol
LogP11.68
Rot. Bonds5

About 6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol

6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol (PubChem CID 144837300) has the molecular formula C46H34O5 and a molecular weight of 666.77 g/mol. Its IUPAC name is 6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
PubChem CID144837300
Molecular FormulaC46H34O5
Molecular Weight666.77 g/mol
Exact Mass666.24
IUPAC Name6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESC/C=C\c1cc(-c2ccc(-c3cccc4ccc(-c5c6ccccc6c(-c6c(O)c(O)c(O)c(O)c6O)c6ccccc56)cc34)cc2)ccc1C
InChIInChI=1S/C46H34O5/c1-3-9-30-24-31(17-16-26(30)2)27-18-20-29(21-19-27)33-15-8-10-28-22-23-32(25-38(28)33)39-34-11-4-6-13-36(34)40(37-14-7-5-12-35(37)39)41-42(47)44(49)46(51)45(50)43(41)48/h3-25,47-51H,1-2H3/b9-3-
InChIKeySOIYUAXASJMBGG-OQFOIZHKSA-N
XLogP11.68
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.77
LogP ≤ 511.68
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

6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol
CID 144837195
6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol
CID 155392957
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228
9-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 126632955
9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 172546641
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 25112576
10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene
CID 145000887
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 160960650

Frequently Asked Questions

What is the IUPAC name of 6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol (CID 144837300) is 6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol is C/C=C\c1cc(-c2ccc(-c3cccc4ccc(-c5c6ccccc6c(-c6c(O)c(O)c(O)c(O)c6O)c6ccccc56)cc34)cc2)ccc1C.
What is the InChIKey of 6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The InChIKey is SOIYUAXASJMBGG-OQFOIZHKSA-N. The full InChI is InChI=1S/C46H34O5/c1-3-9-30-24-31(17-16-26(30)2)27-18-20-29(21-19-27)33-15-8-10-28-22-23-32(25-38(28)33)39-34-11-4-6-13-36(34)40(37-14-7-5-12-35(37)39)41-42(47)44(49)46(51)45(50)43(41)48/h3-25,47-51H,1-2H3/b9-3-.
What are the key properties of 6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 666.77 g/mol, XLogP of 11.68, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-[8-[4-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]phenyl]naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 144837300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).