9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene

C46H30 — CID 58856517

IUPAC9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C46H30/c1-2-14-33(15-3-1)44-30-36(27-28-39(44)38-24-12-18-32-16-6-7-19-37(32)38)46-42-22-10-8-20-40(42)45(41-21-9-11-23-43(41)46)35-26-25-31-13-4-5-17-34(31)29-35/h1-30H
InChIKeyGSUUPLOZVGRBOQ-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene

9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene (PubChem CID 58856517) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene
PubChem CID58856517
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C46H30/c1-2-14-33(15-3-1)44-30-36(27-28-39(44)38-24-12-18-32-16-6-7-19-37(32)38)46-42-22-10-8-20-40(42)45(41-21-9-11-23-43(41)46)35-26-25-31-13-4-5-17-34(31)29-35/h1-30H
InChIKeyGSUUPLOZVGRBOQ-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

9-[3,4-bis(2-phenylphenyl)phenyl]-10-naphthalen-2-ylanthracene;9-[3,4-bis(3-phenylphenyl)phenyl]-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-[4-(2-phenylphenyl)-3-(3-phenylphenyl)phenyl]anthracene
CID 157150348
9,10-diphenylanthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene;9-naphthalen-1-yl-10-phenylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 160897071
9-[7-(2,4-diphenylphenyl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene
CID 123233888
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-2-yl-10-(3-phenylnaphthalen-1-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 159673452
bis(9-(2-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene);9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 165092129
9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 123921245
9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene
CID 58856463
9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(3-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-phenylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 158015443
9-naphthalen-2-yl-10-[3-phenyl-4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]anthracene;2,6,9-triphenyl-10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 161195272
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
9-(2-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene
CID 165020657

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene?
The IUPAC name of 9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene (CID 58856517) is 9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene?
The canonical SMILES for 9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene is c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2-c2cccc3ccccc23)cc1.
What is the InChIKey of 9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene?
The InChIKey is GSUUPLOZVGRBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-14-33(15-3-1)44-30-36(27-28-39(44)38-24-12-18-32-16-6-7-19-37(32)38)46-42-22-10-8-20-40(42)45(41-21-9-11-23-43(41)46)35-26-25-31-13-4-5-17-34(31)29-35/h1-30H.
What are the key properties of 9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene?
9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)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-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene is sourced from PubChem (CID 58856517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).