bis(1-naphthalen-1-ylnaphthalene);phosphane

C40H31P — CID 175426418

IUPACbis(1-naphthalen-1-ylnaphthalene);phosphane
SMILESP.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/2C20H14.H3P/c2*1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;/h2*1-14H;1H3
InChIKeyGFSXJQBJKWUZNU-UHFFFAOYSA-N
MW542.66 g/mol
LogP11.38
Rot. Bonds2

About bis(1-naphthalen-1-ylnaphthalene);phosphane

bis(1-naphthalen-1-ylnaphthalene);phosphane (PubChem CID 175426418) has the molecular formula C40H31P and a molecular weight of 542.66 g/mol. Its IUPAC name is bis(1-naphthalen-1-ylnaphthalene);phosphane.

Molecular Properties

Compound Namebis(1-naphthalen-1-ylnaphthalene);phosphane
PubChem CID175426418
Molecular FormulaC40H31P
Molecular Weight542.66 g/mol
Exact Mass542.22
IUPAC Namebis(1-naphthalen-1-ylnaphthalene);phosphane
SMILESP.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/2C20H14.H3P/c2*1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;/h2*1-14H;1H3
InChIKeyGFSXJQBJKWUZNU-UHFFFAOYSA-N
XLogP11.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.66
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
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CID 68981096
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CID 59169251
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CID 11327769
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
9-naphthalen-1-ylphenanthrene
CID 20606742
1-naphthalen-1-ylnaphthalene;phenol
CID 174330284
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401

Frequently Asked Questions

What is the IUPAC name of bis(1-naphthalen-1-ylnaphthalene);phosphane?
The IUPAC name of bis(1-naphthalen-1-ylnaphthalene);phosphane (CID 175426418) is bis(1-naphthalen-1-ylnaphthalene);phosphane.
What is the SMILES notation for bis(1-naphthalen-1-ylnaphthalene);phosphane?
The canonical SMILES for bis(1-naphthalen-1-ylnaphthalene);phosphane is P.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.
What is the InChIKey of bis(1-naphthalen-1-ylnaphthalene);phosphane?
The InChIKey is GFSXJQBJKWUZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H14.H3P/c2*1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;/h2*1-14H;1H3.
What are the key properties of bis(1-naphthalen-1-ylnaphthalene);phosphane?
bis(1-naphthalen-1-ylnaphthalene);phosphane has a molecular weight of 542.66 g/mol, XLogP of 11.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-naphthalen-1-ylnaphthalene);phosphane is sourced from PubChem (CID 175426418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).