(2-phenanthren-9-ylcyclohexyl)phosphane

C20H21P — CID 175426688

IUPAC(2-phenanthren-9-ylcyclohexyl)phosphane
SMILESPC1CCCCC1c1cc2ccccc2c2ccccc12
InChIInChI=1S/C20H21P/c21-20-12-6-5-11-18(20)19-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)19/h1-4,7-10,13,18,20H,5-6,11-12,21H2
InChIKeyZJQBZHBMDCQBIC-UHFFFAOYSA-N
MW292.36 g/mol
LogP5.89
Rot. Bonds1

About (2-phenanthren-9-ylcyclohexyl)phosphane

(2-phenanthren-9-ylcyclohexyl)phosphane (PubChem CID 175426688) has the molecular formula C20H21P and a molecular weight of 292.36 g/mol. Its IUPAC name is (2-phenanthren-9-ylcyclohexyl)phosphane.

Molecular Properties

Compound Name(2-phenanthren-9-ylcyclohexyl)phosphane
PubChem CID175426688
Molecular FormulaC20H21P
Molecular Weight292.36 g/mol
Exact Mass292.14
IUPAC Name(2-phenanthren-9-ylcyclohexyl)phosphane
SMILESPC1CCCCC1c1cc2ccccc2c2ccccc12
InChIInChI=1S/C20H21P/c21-20-12-6-5-11-18(20)19-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)19/h1-4,7-10,13,18,20H,5-6,11-12,21H2
InChIKeyZJQBZHBMDCQBIC-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.36
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-phenanthren-9-ylimidazolidin-2-one
CID 171252796
9-[2,2-bis(deuteriomethyl)cyclopropyl]phenanthrene
CID 142766365
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
naphtho[1,2-b]phenanthrene
CID 5889
1-cyclopentyl-3-methylnaphthalene
CID 153311987
phenanthren-9-amine
CID 13695
nonacyclo[20.12.0.02,15.03,12.04,33.06,11.016,21.023,28.029,34]tetratriaconta-1(22),2(15),3(12),4,6,8,10,13,16,18,20,23,25,27,29(34),30,32-heptadecaene
CID 21082984
(1S,4aS,6aR,10R,10aR,12aS)-1,10-di(phenanthren-1-yl)-1,2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12,12a-octadecahydrotetracene
CID 101142973
9-cyclohexyloxyanthracene
CID 139783427
3-cyclopentylphenanthrene
CID 173264329
(1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol
CID 171264796

Frequently Asked Questions

What is the IUPAC name of (2-phenanthren-9-ylcyclohexyl)phosphane?
The IUPAC name of (2-phenanthren-9-ylcyclohexyl)phosphane (CID 175426688) is (2-phenanthren-9-ylcyclohexyl)phosphane.
What is the SMILES notation for (2-phenanthren-9-ylcyclohexyl)phosphane?
The canonical SMILES for (2-phenanthren-9-ylcyclohexyl)phosphane is PC1CCCCC1c1cc2ccccc2c2ccccc12.
What is the InChIKey of (2-phenanthren-9-ylcyclohexyl)phosphane?
The InChIKey is ZJQBZHBMDCQBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21P/c21-20-12-6-5-11-18(20)19-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)19/h1-4,7-10,13,18,20H,5-6,11-12,21H2.
What are the key properties of (2-phenanthren-9-ylcyclohexyl)phosphane?
(2-phenanthren-9-ylcyclohexyl)phosphane has a molecular weight of 292.36 g/mol, XLogP of 5.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenanthren-9-ylcyclohexyl)phosphane is sourced from PubChem (CID 175426688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).