9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene

C38H24 — CID 58730017

IUPAC9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene
SMILESC(#Cc1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C38H24/c1-2-13-28(14-3-1)30-17-10-12-27(26-30)24-25-34-32-19-6-8-21-36(32)38(37-22-9-7-20-33(34)37)35-23-11-16-29-15-4-5-18-31(29)35/h1-23,26H
InChIKeyOOHIDEHWWDIVJC-UHFFFAOYSA-N
MW480.61 g/mol
LogP9.88
Rot. Bonds2

About 9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene

9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene (PubChem CID 58730017) has the molecular formula C38H24 and a molecular weight of 480.61 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene
PubChem CID58730017
Molecular FormulaC38H24
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Name9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene
SMILESC(#Cc1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C38H24/c1-2-13-28(14-3-1)30-17-10-12-27(26-30)24-25-34-32-19-6-8-21-36(32)38(37-22-9-7-20-33(34)37)35-23-11-16-29-15-4-5-18-31(29)35/h1-23,26H
InChIKeyOOHIDEHWWDIVJC-UHFFFAOYSA-N
XLogP9.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
9-(2-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 144568898
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 142696935
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene
CID 91534318
9-naphthalen-1-yl-10-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(4-phenylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159990389
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene (CID 58730017) is 9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene is C(#Cc1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene?
The InChIKey is OOHIDEHWWDIVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24/c1-2-13-28(14-3-1)30-17-10-12-27(26-30)24-25-34-32-19-6-8-21-36(32)38(37-22-9-7-20-33(34)37)35-23-11-16-29-15-4-5-18-31(29)35/h1-23,26H.
What are the key properties of 9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene?
9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene has a molecular weight of 480.61 g/mol, XLogP of 9.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene is sourced from PubChem (CID 58730017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).