9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene

C40H26 — CID 21022512

IUPAC9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C40H26/c1-3-11-31-25-33(23-19-27(31)9-1)29-17-21-30(22-18-29)39-35-13-5-7-15-37(35)40(38-16-8-6-14-36(38)39)34-24-20-28-10-2-4-12-32(28)26-34/h1-26H
InChIKeyUVKXKMPWVQQLGE-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.30
Rot. Bonds3

About 9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene

9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene (PubChem CID 21022512) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
PubChem CID21022512
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C40H26/c1-3-11-31-25-33(23-19-27(31)9-1)29-17-21-30(22-18-29)39-35-13-5-7-15-37(35)40(38-16-8-6-14-36(38)39)34-24-20-28-10-2-4-12-32(28)26-34/h1-26H
InChIKeyUVKXKMPWVQQLGE-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

9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene (CID 21022512) is 9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene is c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)ccc2c1.
What is the InChIKey of 9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene?
The InChIKey is UVKXKMPWVQQLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-3-11-31-25-33(23-19-27(31)9-1)29-17-21-30(22-18-29)39-35-13-5-7-15-37(35)40(38-16-8-6-14-36(38)39)34-24-20-28-10-2-4-12-32(28)26-34/h1-26H.
What are the key properties of 9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene?
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene 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-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 21022512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).