CID 172736940

C18H14Na — CID 172736940

IUPAC—
SMILESC=C(c1ccccc1)c1cccc2ccccc12.[Na]
InChIInChI=1S/C18H14.Na/c1-14(15-8-3-2-4-9-15)17-13-7-11-16-10-5-6-12-18(16)17;/h2-13H,1H2;
InChIKeyIOLLZCVHWFMKSF-UHFFFAOYSA-N
MW253.30 g/mol
LogP4.52
Rot. Bonds2

About CID 172736940

CID 172736940 (PubChem CID 172736940) has the molecular formula C18H14Na and a molecular weight of 253.30 g/mol.

Molecular Properties

Compound NameCID 172736940
PubChem CID172736940
Molecular FormulaC18H14Na
Molecular Weight253.30 g/mol
Exact Mass253.10
IUPAC Name—
SMILESC=C(c1ccccc1)c1cccc2ccccc12.[Na]
InChIInChI=1S/C18H14.Na/c1-14(15-8-3-2-4-9-15)17-13-7-11-16-10-5-6-12-18(16)17;/h2-13H,1H2;
InChIKeyIOLLZCVHWFMKSF-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 88653107
1-[(Z)-1,2-diphenylethenyl]naphthalene
CID 11347319
1-phenylethenylbenzene;hydrochloride
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1,2-diethyl-3-(1-phenylethenyl)benzene
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Frequently Asked Questions

What is the IUPAC name of CID 172736940?
The IUPAC name of CID 172736940 (CID 172736940) is not available.
What is the SMILES notation for CID 172736940?
The canonical SMILES for CID 172736940 is C=C(c1ccccc1)c1cccc2ccccc12.[Na].
What is the InChIKey of CID 172736940?
The InChIKey is IOLLZCVHWFMKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.Na/c1-14(15-8-3-2-4-9-15)17-13-7-11-16-10-5-6-12-18(16)17;/h2-13H,1H2;.
What are the key properties of CID 172736940?
CID 172736940 has a molecular weight of 253.30 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172736940 is sourced from PubChem (CID 172736940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).