2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene

C34H20 — CID 102492748

IUPAC2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene
SMILESC#Cc1ccccc1-c1ccccc1C#Cc1c(-c2ccccc2C#C)ccc2ccccc12
InChIInChI=1S/C34H20/c1-3-25-13-5-9-17-29(25)31-19-11-7-15-27(31)21-24-34-32-20-12-8-16-28(32)22-23-33(34)30-18-10-6-14-26(30)4-2/h1-2,5-20,22-23H
InChIKeyRWZSTWIRWFSPGS-UHFFFAOYSA-N
MW428.53 g/mol
LogP7.54
Rot. Bonds2

About 2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene

2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene (PubChem CID 102492748) has the molecular formula C34H20 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene.

Molecular Properties

Compound Name2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene
PubChem CID102492748
Molecular FormulaC34H20
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene
SMILESC#Cc1ccccc1-c1ccccc1C#Cc1c(-c2ccccc2C#C)ccc2ccccc12
InChIInChI=1S/C34H20/c1-3-25-13-5-9-17-29(25)31-19-11-7-15-27(31)21-24-34-32-20-12-8-16-28(32)22-23-33(34)30-18-10-6-14-26(30)4-2/h1-2,5-20,22-23H
InChIKeyRWZSTWIRWFSPGS-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethynyl-2-[1-[4-[2-(1-ethynylnaphthalen-2-yl)naphthalen-1-yl]buta-1,3-diynyl]naphthalen-2-yl]naphthalene
CID 134958279
1,4-bis[2,3-diethynyl-4-(2-ethynylphenyl)phenyl]-2,3-diethynylbenzene
CID 140707297
2-[3,5-bis[1-(2-phenylethynyl)naphthalen-2-yl]phenyl]-1-(2-phenylethynyl)naphthalene
CID 122229188
1-[2-[2-(1-benzothiophen-2-yl)phenyl]ethynyl]naphthalen-2-ol
CID 122363300
2-bromo-1-(2-naphthalen-1-ylethynyl)naphthalene
CID 90180445
benzene;9-ethynylanthracene
CID 161110556
3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile
CID 175833968
1,2,3-triethynylnaphthalene
CID 139963288
1-ethynyl-5-phenylnaphthalene
CID 162499401
5-(2-ethynylphenyl)isoquinoline
CID 172649261
2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene
CID 15355669
1-(2-phenylethynyl)-2-[2-[2-[2-[2-(2-phenylethynyl)phenyl]phenyl]ethynyl]phenyl]benzene
CID 134956691

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene?
The IUPAC name of 2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene (CID 102492748) is 2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene.
What is the SMILES notation for 2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene?
The canonical SMILES for 2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene is C#Cc1ccccc1-c1ccccc1C#Cc1c(-c2ccccc2C#C)ccc2ccccc12.
What is the InChIKey of 2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene?
The InChIKey is RWZSTWIRWFSPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20/c1-3-25-13-5-9-17-29(25)31-19-11-7-15-27(31)21-24-34-32-20-12-8-16-28(32)22-23-33(34)30-18-10-6-14-26(30)4-2/h1-2,5-20,22-23H.
What are the key properties of 2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene?
2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene has a molecular weight of 428.53 g/mol, XLogP of 7.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethynylphenyl)-1-[2-[2-(2-ethynylphenyl)phenyl]ethynyl]naphthalene is sourced from PubChem (CID 102492748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).