9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene

C50H32 — CID 123260726

IUPAC9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5cccc(-c6cccc7ccccc67)c45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C50H32/c1-2-16-34(17-3-1)49-43-24-8-10-26-45(43)50(46-27-11-9-25-44(46)49)47-32-31-40(38-22-6-7-23-39(38)47)42-30-14-20-35-19-13-29-41(48(35)42)37-28-12-18-33-15-4-5-21-36(33)37/h1-32H
InChIKeyAOWFJFQPRVILHK-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene

9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene (PubChem CID 123260726) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene.

Molecular Properties

Compound Name9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
PubChem CID123260726
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5cccc(-c6cccc7ccccc67)c45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C50H32/c1-2-16-34(17-3-1)49-43-24-8-10-26-45(43)50(46-27-11-9-25-44(46)49)47-32-31-40(38-22-6-7-23-39(38)47)42-30-14-20-35-19-13-29-41(48(35)42)37-28-12-18-33-15-4-5-21-36(33)37/h1-32H
InChIKeyAOWFJFQPRVILHK-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
CID 123676833
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene
CID 142721790
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
9-naphthalen-1-yl-10-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(4-phenylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159990389
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471

Frequently Asked Questions

What is the IUPAC name of 9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene?
The IUPAC name of 9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene (CID 123260726) is 9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene.
What is the SMILES notation for 9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene?
The canonical SMILES for 9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5cccc(-c6cccc7ccccc67)c45)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene?
The InChIKey is AOWFJFQPRVILHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-16-34(17-3-1)49-43-24-8-10-26-45(43)50(46-27-11-9-25-44(46)49)47-32-31-40(38-22-6-7-23-39(38)47)42-30-14-20-35-19-13-29-41(48(35)42)37-28-12-18-33-15-4-5-21-36(33)37/h1-32H.
What are the key properties of 9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene?
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene is sourced from PubChem (CID 123260726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).