6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene

C38H26O2 — CID 141246680

IUPAC6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene
SMILESC#CCOc1ccc2cc(-c3ccccc3)ccc2c1-c1c(OCC#C)ccc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C38H26O2/c1-3-23-39-35-21-17-31-25-29(27-11-7-5-8-12-27)15-19-33(31)37(35)38-34-20-16-30(28-13-9-6-10-14-28)26-32(34)18-22-36(38)40-24-4-2/h1-2,5-22,25-26H,23-24H2
InChIKeyMQEVSMUMYREBCV-UHFFFAOYSA-N
MW514.62 g/mol
LogP9.02
Rot. Bonds7

About 6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene

6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene (PubChem CID 141246680) has the molecular formula C38H26O2 and a molecular weight of 514.62 g/mol. Its IUPAC name is 6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene.

Molecular Properties

Compound Name6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene
PubChem CID141246680
Molecular FormulaC38H26O2
Molecular Weight514.62 g/mol
Exact Mass514.19
IUPAC Name6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene
SMILESC#CCOc1ccc2cc(-c3ccccc3)ccc2c1-c1c(OCC#C)ccc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C38H26O2/c1-3-23-39-35-21-17-31-25-29(27-11-7-5-8-12-27)15-19-33(31)37(35)38-34-20-16-30(28-13-9-6-10-14-28)26-32(34)18-22-36(38)40-24-4-2/h1-2,5-22,25-26H,23-24H2
InChIKeyMQEVSMUMYREBCV-UHFFFAOYSA-N
XLogP9.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene
CID 11175897
2-[1-[2-(2-hydroxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethanol;2-[1-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethanol
CID 163740877
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene
CID 10974840
3-(6-naphthalen-2-ylnaphthalen-2-yl)-9-phenylchrysene
CID 123868192
3-phenylbenzo[a]anthracene
CID 59412661
3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile
CID 164763709
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
CID 175833725
CID 175833725
2-[1-[2-(2-hydroxyethoxy)-6-(3-isocyanophenyl)naphthalen-1-yl]-6-(3-isocyanophenyl)naphthalen-2-yl]oxyethanol
CID 155635706
2,6,9-tris(3-phenylphenyl)anthracene
CID 143896794

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene?
The IUPAC name of 6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene (CID 141246680) is 6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene.
What is the SMILES notation for 6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene?
The canonical SMILES for 6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene is C#CCOc1ccc2cc(-c3ccccc3)ccc2c1-c1c(OCC#C)ccc2cc(-c3ccccc3)ccc12.
What is the InChIKey of 6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene?
The InChIKey is MQEVSMUMYREBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26O2/c1-3-23-39-35-21-17-31-25-29(27-11-7-5-8-12-27)15-19-33(31)37(35)38-34-20-16-30(28-13-9-6-10-14-28)26-32(34)18-22-36(38)40-24-4-2/h1-2,5-22,25-26H,23-24H2.
What are the key properties of 6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene?
6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene has a molecular weight of 514.62 g/mol, XLogP of 9.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene is sourced from PubChem (CID 141246680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).