9,10-bis(2-naphthalen-2-ylethynyl)anthracene

C38H22 — CID 101489340

IUPAC9,10-bis(2-naphthalen-2-ylethynyl)anthracene
SMILESC(#Cc1c2ccccc2c(C#Cc2ccc3ccccc3c2)c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C38H22/c1-3-11-31-25-27(17-21-29(31)9-1)19-23-37-33-13-5-7-15-35(33)38(36-16-8-6-14-34(36)37)24-20-28-18-22-30-10-2-4-12-32(30)26-28/h1-18,21-22,25-26H
InChIKeyGPDXPHBBVKBRSE-UHFFFAOYSA-N
MW478.59 g/mol
LogP9.10
Rot. Bonds

About 9,10-bis(2-naphthalen-2-ylethynyl)anthracene

9,10-bis(2-naphthalen-2-ylethynyl)anthracene (PubChem CID 101489340) has the molecular formula C38H22 and a molecular weight of 478.59 g/mol. Its IUPAC name is 9,10-bis(2-naphthalen-2-ylethynyl)anthracene.

Molecular Properties

Compound Name9,10-bis(2-naphthalen-2-ylethynyl)anthracene
PubChem CID101489340
Molecular FormulaC38H22
Molecular Weight478.59 g/mol
Exact Mass478.17
IUPAC Name9,10-bis(2-naphthalen-2-ylethynyl)anthracene
SMILESC(#Cc1c2ccccc2c(C#Cc2ccc3ccccc3c2)c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C38H22/c1-3-11-31-25-27(17-21-29(31)9-1)19-23-37-33-13-5-7-15-35(33)38(36-16-8-6-14-34(36)37)24-20-28-18-22-30-10-2-4-12-32(30)26-28/h1-18,21-22,25-26H
InChIKeyGPDXPHBBVKBRSE-UHFFFAOYSA-N
XLogP9.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 59.10
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-(4-tert-butylphenyl)-10-(2-naphthalen-2-ylethynyl)anthracene
CID 58730027
2,6-bis(prop-1-ynyl)anthracene;9,10-bis(prop-1-ynyl)anthracene
CID 161193415
2-(2-phenylethynyl)anthracene
CID 143875510
2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene
CID 59413225
2-[2-[4-(bromomethyl)phenyl]ethynyl]naphthalene
CID 170457112
2-[2-(4-isocyanophenyl)ethynyl]naphthalene
CID 123559812
57-(2-phenylethynyl)undecacyclo[46.2.2.27,10.223,26.232,35.12,6.111,15.118,22.127,31.136,40.143,47]tetrahexaconta-1(50),2(64),3,5,7(63),8,10(62),11,13,15(61),18(60),19,21,23(59),24,26(58),27,29,31(57),32,34,36,38,40(54),43(53),44,46,48,51,55-triacontaen-16,41-diyne
CID 101404037
trimethyl(2-naphthalen-2-ylethynyl)silane
CID 12579656
2-[2-[3-[2-(3,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 170459634
1,2,7-tris(2-phenylethynyl)naphthalene
CID 86009287
4-naphthalen-2-ylbut-3-ynenitrile
CID 170474971
anthracene;naphthalene;phenanthrene
CID 158591187

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(2-naphthalen-2-ylethynyl)anthracene?
The IUPAC name of 9,10-bis(2-naphthalen-2-ylethynyl)anthracene (CID 101489340) is 9,10-bis(2-naphthalen-2-ylethynyl)anthracene.
What is the SMILES notation for 9,10-bis(2-naphthalen-2-ylethynyl)anthracene?
The canonical SMILES for 9,10-bis(2-naphthalen-2-ylethynyl)anthracene is C(#Cc1c2ccccc2c(C#Cc2ccc3ccccc3c2)c2ccccc12)c1ccc2ccccc2c1.
What is the InChIKey of 9,10-bis(2-naphthalen-2-ylethynyl)anthracene?
The InChIKey is GPDXPHBBVKBRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22/c1-3-11-31-25-27(17-21-29(31)9-1)19-23-37-33-13-5-7-15-35(33)38(36-16-8-6-14-34(36)37)24-20-28-18-22-30-10-2-4-12-32(30)26-28/h1-18,21-22,25-26H.
What are the key properties of 9,10-bis(2-naphthalen-2-ylethynyl)anthracene?
9,10-bis(2-naphthalen-2-ylethynyl)anthracene has a molecular weight of 478.59 g/mol, XLogP of 9.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(2-naphthalen-2-ylethynyl)anthracene is sourced from PubChem (CID 101489340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).