10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene

C52H34 — CID 58323579

IUPAC10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c3c2)cc1
InChIInChI=1S/C52H34/c1-2-15-35(16-3-1)41-24-8-9-26-44(41)39-31-32-49-50(34-39)51(40-22-12-21-38(33-40)45-29-13-19-36-17-4-6-23-42(36)45)47-27-10-11-28-48(47)52(49)46-30-14-20-37-18-5-7-25-43(37)46/h1-34H
InChIKeyHSXTWDOCCPYOSP-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

About 10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene

10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene (PubChem CID 58323579) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
PubChem CID58323579
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c3c2)cc1
InChIInChI=1S/C52H34/c1-2-15-35(16-3-1)41-24-8-9-26-44(41)39-31-32-49-50(34-39)51(40-22-12-21-38(33-40)45-29-13-19-36-17-4-6-23-42(36)45)47-27-10-11-28-48(47)52(49)46-30-14-20-37-18-5-7-25-43(37)46/h1-34H
InChIKeyHSXTWDOCCPYOSP-UHFFFAOYSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 514.63
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-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;9-[2-(2-phenylphenyl)phenyl]-10-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 159977577
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene?
The IUPAC name of 10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene (CID 58323579) is 10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene.
What is the SMILES notation for 10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene?
The canonical SMILES for 10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene is c1ccc(-c2ccccc2-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c3c2)cc1.
What is the InChIKey of 10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene?
The InChIKey is HSXTWDOCCPYOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-2-15-35(16-3-1)41-24-8-9-26-44(41)39-31-32-49-50(34-39)51(40-22-12-21-38(33-40)45-29-13-19-36-17-4-6-23-42(36)45)47-27-10-11-28-48(47)52(49)46-30-14-20-37-18-5-7-25-43(37)46/h1-34H.
What are the key properties of 10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene?
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene has a molecular weight of 658.84 g/mol, XLogP of 14.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene is sourced from PubChem (CID 58323579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).