10-benzylphenanthrene-2-carbonitrile

C22H15N — CID 162401077

IUPAC10-benzylphenanthrene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)c(Cc1ccccc1)cc1ccccc12
InChIInChI=1S/C22H15N/c23-15-17-10-11-21-20-9-5-4-8-18(20)14-19(22(21)13-17)12-16-6-2-1-3-7-16/h1-11,13-14H,12H2
InChIKeyFOUTZKKKKFXSSK-UHFFFAOYSA-N
MW293.37 g/mol
LogP5.46
Rot. Bonds2

About 10-benzylphenanthrene-2-carbonitrile

10-benzylphenanthrene-2-carbonitrile (PubChem CID 162401077) has the molecular formula C22H15N and a molecular weight of 293.37 g/mol. Its IUPAC name is 10-benzylphenanthrene-2-carbonitrile.

Molecular Properties

Compound Name10-benzylphenanthrene-2-carbonitrile
PubChem CID162401077
Molecular FormulaC22H15N
Molecular Weight293.37 g/mol
Exact Mass293.12
IUPAC Name10-benzylphenanthrene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)c(Cc1ccccc1)cc1ccccc12
InChIInChI=1S/C22H15N/c23-15-17-10-11-21-20-9-5-4-8-18(20)14-19(22(21)13-17)12-16-6-2-1-3-7-16/h1-11,13-14H,12H2
InChIKeyFOUTZKKKKFXSSK-UHFFFAOYSA-N
XLogP5.46
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(phenanthren-9-ylmethyl)phenanthrene
CID 161235111
azane;1-benzyl-3-methylnaphthalene
CID 174691048
3-(triphenylen-2-ylmethyl)benzonitrile
CID 153329231
2-benzyl-4-cyanobenzoic acid
CID 174901018
4-phenanthren-9-ylbenzonitrile
CID 89027020
anthracene-2,9-dicarbonitrile
CID 22395387
3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 176909607
6-chrysen-6-ylnaphthalene-2-carbonitrile
CID 89027108
heptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20(25),21,23,26-tetradecaene-22-carbonitrile
CID 88894255
8-hydroxyphenanthrene-3-carbonitrile
CID 141318774
3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene
CID 176915963
12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene-7-carbonitrile
CID 118860561

Frequently Asked Questions

What is the IUPAC name of 10-benzylphenanthrene-2-carbonitrile?
The IUPAC name of 10-benzylphenanthrene-2-carbonitrile (CID 162401077) is 10-benzylphenanthrene-2-carbonitrile.
What is the SMILES notation for 10-benzylphenanthrene-2-carbonitrile?
The canonical SMILES for 10-benzylphenanthrene-2-carbonitrile is N#Cc1ccc2c(c1)c(Cc1ccccc1)cc1ccccc12.
What is the InChIKey of 10-benzylphenanthrene-2-carbonitrile?
The InChIKey is FOUTZKKKKFXSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N/c23-15-17-10-11-21-20-9-5-4-8-18(20)14-19(22(21)13-17)12-16-6-2-1-3-7-16/h1-11,13-14H,12H2.
What are the key properties of 10-benzylphenanthrene-2-carbonitrile?
10-benzylphenanthrene-2-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzylphenanthrene-2-carbonitrile is sourced from PubChem (CID 162401077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).