9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene

C46H30 — CID 123676833

IUPAC9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
SMILESc1ccc(-c2cccc3cccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)c23)cc1
InChIInChI=1S/C46H30/c1-2-13-32(14-3-1)38-25-11-17-34-18-12-26-43(44(34)38)46-41-22-8-6-20-39(41)45(40-21-7-9-23-42(40)46)35-29-27-33(28-30-35)37-24-10-16-31-15-4-5-19-36(31)37/h1-30H
InChIKeyDOICQOSEXTUXLD-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene

9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene (PubChem CID 123676833) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
PubChem CID123676833
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
SMILESc1ccc(-c2cccc3cccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)c23)cc1
InChIInChI=1S/C46H30/c1-2-13-32(14-3-1)38-25-11-17-34-18-12-26-43(44(34)38)46-41-22-8-6-20-39(41)45(40-21-7-9-23-42(40)46)35-29-27-33(28-30-35)37-24-10-16-31-15-4-5-19-36(31)37/h1-30H
InChIKeyDOICQOSEXTUXLD-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.97
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

10-(4-naphthalen-1-ylphenyl)-9-phenyl-2-(8-phenylnaphthalen-1-yl)anthracene
CID 123378764
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzothiophene
CID 166706115
9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene
CID 141366540
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene (CID 123676833) is 9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene is c1ccc(-c2cccc3cccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)c23)cc1.
What is the InChIKey of 9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene?
The InChIKey is DOICQOSEXTUXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-13-32(14-3-1)38-25-11-17-34-18-12-26-43(44(34)38)46-41-22-8-6-20-39(41)45(40-21-7-9-23-42(40)46)35-29-27-33(28-30-35)37-24-10-16-31-15-4-5-19-36(31)37/h1-30H.
What are the key properties of 9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene?
9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene has a molecular weight of 582.75 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 123676833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).