9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene

C40H26 — CID 123682471

IUPAC9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4cc(-c5cccc6ccccc56)ccc34)c3ccccc23)cc1
InChIInChI=1S/C40H26/c1-2-13-28(14-3-1)39-35-18-6-8-20-37(35)40(38-21-9-7-19-36(38)39)34-23-11-16-29-26-30(24-25-33(29)34)32-22-10-15-27-12-4-5-17-31(27)32/h1-26H
InChIKeyXEBCGHRMJKIIOT-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.30
Rot. Bonds3

About 9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene

9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene (PubChem CID 123682471) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene.

Molecular Properties

Compound Name9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
PubChem CID123682471
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4cc(-c5cccc6ccccc56)ccc34)c3ccccc23)cc1
InChIInChI=1S/C40H26/c1-2-13-28(14-3-1)39-35-18-6-8-20-37(35)40(38-21-9-7-19-36(38)39)34-23-11-16-29-26-30(24-25-33(29)34)32-22-10-15-27-12-4-5-17-31(27)32/h1-26H
InChIKeyXEBCGHRMJKIIOT-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 511.30
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

2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
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-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene
CID 165002547
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
ethane;2-naphthalen-1-ylanthracene;9-naphthalen-1-ylanthracene;2-naphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9,10-diphenylanthracene;1-naphthalen-2-ylnaphthalene
CID 160511945
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119
9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene
CID 168786911

Frequently Asked Questions

What is the IUPAC name of 9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene?
The IUPAC name of 9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene (CID 123682471) is 9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene.
What is the SMILES notation for 9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene?
The canonical SMILES for 9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene is c1ccc(-c2c3ccccc3c(-c3cccc4cc(-c5cccc6ccccc56)ccc34)c3ccccc23)cc1.
What is the InChIKey of 9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene?
The InChIKey is XEBCGHRMJKIIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-2-13-28(14-3-1)39-35-18-6-8-20-37(35)40(38-21-9-7-19-36(38)39)34-23-11-16-29-26-30(24-25-33(29)34)32-22-10-15-27-12-4-5-17-31(27)32/h1-26H.
What are the key properties of 9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene?
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene has a molecular weight of 506.65 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene is sourced from PubChem (CID 123682471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).