9,10-dihydrophenanthrene-9,10-dicarbonitrile

C16H10N2 — CID 13028861

IUPAC9,10-dihydrophenanthrene-9,10-dicarbonitrile
SMILESN#CC1c2ccccc2-c2ccccc2C1C#N
InChIInChI=1S/C16H10N2/c17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18/h1-8,15-16H
InChIKeyNXEUPFDNVSTAAI-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.58
Rot. Bonds

About 9,10-dihydrophenanthrene-9,10-dicarbonitrile

9,10-dihydrophenanthrene-9,10-dicarbonitrile (PubChem CID 13028861) has the molecular formula C16H10N2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 9,10-dihydrophenanthrene-9,10-dicarbonitrile.

Molecular Properties

Compound Name9,10-dihydrophenanthrene-9,10-dicarbonitrile
PubChem CID13028861
Molecular FormulaC16H10N2
Molecular Weight230.27 g/mol
Exact Mass230.08
IUPAC Name9,10-dihydrophenanthrene-9,10-dicarbonitrile
SMILESN#CC1c2ccccc2-c2ccccc2C1C#N
InChIInChI=1S/C16H10N2/c17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18/h1-8,15-16H
InChIKeyNXEUPFDNVSTAAI-UHFFFAOYSA-N
XLogP3.58
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,10-dihydrophenanthrene-9,10-dicarbonitrile?
The IUPAC name of 9,10-dihydrophenanthrene-9,10-dicarbonitrile (CID 13028861) is 9,10-dihydrophenanthrene-9,10-dicarbonitrile.
What is the SMILES notation for 9,10-dihydrophenanthrene-9,10-dicarbonitrile?
The canonical SMILES for 9,10-dihydrophenanthrene-9,10-dicarbonitrile is N#CC1c2ccccc2-c2ccccc2C1C#N.
What is the InChIKey of 9,10-dihydrophenanthrene-9,10-dicarbonitrile?
The InChIKey is NXEUPFDNVSTAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2/c17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18/h1-8,15-16H.
What are the key properties of 9,10-dihydrophenanthrene-9,10-dicarbonitrile?
9,10-dihydrophenanthrene-9,10-dicarbonitrile has a molecular weight of 230.27 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydrophenanthrene-9,10-dicarbonitrile is sourced from PubChem (CID 13028861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).