7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol

C50H32O — CID 143552197

IUPAC7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol
SMILESOc1ccc2c(ccc3c(-c4cccc(-c5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5)c4)c4ccccc4cc32)c1
InChIInChI=1S/C50H32O/c51-39-25-27-40-36(30-39)24-26-46-47(40)31-35-14-4-5-19-41(35)49(46)37-17-10-15-33(28-37)34-16-11-18-38(29-34)50-44-22-8-6-20-42(44)48(32-12-2-1-3-13-32)43-21-7-9-23-45(43)50/h1-31,51H
InChIKeyZATCDQITHSOLJP-UHFFFAOYSA-N
MW648.81 g/mol
LogP13.83
Rot. Bonds4

About 7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol

7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol (PubChem CID 143552197) has the molecular formula C50H32O and a molecular weight of 648.81 g/mol. Its IUPAC name is 7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol.

Molecular Properties

Compound Name7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol
PubChem CID143552197
Molecular FormulaC50H32O
Molecular Weight648.81 g/mol
Exact Mass648.25
IUPAC Name7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol
SMILESOc1ccc2c(ccc3c(-c4cccc(-c5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5)c4)c4ccccc4cc32)c1
InChIInChI=1S/C50H32O/c51-39-25-27-40-36(30-39)24-26-46-47(40)31-35-14-4-5-19-41(35)49(46)37-17-10-15-33(28-37)34-16-11-18-38(29-34)50-44-22-8-6-20-42(44)48(32-12-2-1-3-13-32)43-21-7-9-23-45(43)50/h1-31,51H
InChIKeyZATCDQITHSOLJP-UHFFFAOYSA-N
XLogP13.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 513.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene
CID 59412706
7-(3,5-dinaphthalen-2-ylphenyl)benzo[a]anthracene;7-(3-naphthalen-2-ylphenyl)benzo[a]anthracene;7-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[a]anthracene;7-(3-naphthalen-2-yl-5-phenylphenyl)benzo[a]anthracene
CID 158288300
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
7-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]benzo[a]anthracene
CID 162703110
3-anthracen-9-ylphenol
CID 91210590
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-ol
CID 58876156
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
2-(4-benzo[a]anthracen-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167252711
9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413034
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

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol?
The IUPAC name of 7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol (CID 143552197) is 7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol.
What is the SMILES notation for 7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol?
The canonical SMILES for 7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol is Oc1ccc2c(ccc3c(-c4cccc(-c5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5)c4)c4ccccc4cc32)c1.
What is the InChIKey of 7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol?
The InChIKey is ZATCDQITHSOLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32O/c51-39-25-27-40-36(30-39)24-26-46-47(40)31-35-14-4-5-19-41(35)49(46)37-17-10-15-33(28-37)34-16-11-18-38(29-34)50-44-22-8-6-20-42(44)48(32-12-2-1-3-13-32)43-21-7-9-23-45(43)50/h1-31,51H.
What are the key properties of 7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol?
7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol has a molecular weight of 648.81 g/mol, XLogP of 13.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol is sourced from PubChem (CID 143552197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).