benzylbenzene;quinoline

C22H19N — CID 157081554

IUPACbenzylbenzene;quinoline
SMILESc1ccc(Cc2ccccc2)cc1.c1ccc2ncccc2c1
InChIInChI=1S/C13H12.C9H7N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-6-9-8(4-1)5-3-7-10-9/h1-10H,11H2;1-7H
InChIKeyADPJTVOXDVDLGB-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.51
Rot. Bonds2

About benzylbenzene;quinoline

benzylbenzene;quinoline (PubChem CID 157081554) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is benzylbenzene;quinoline.

Molecular Properties

Compound Namebenzylbenzene;quinoline
PubChem CID157081554
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Namebenzylbenzene;quinoline
SMILESc1ccc(Cc2ccccc2)cc1.c1ccc2ncccc2c1
InChIInChI=1S/C13H12.C9H7N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-6-9-8(4-1)5-3-7-10-9/h1-10H,11H2;1-7H
InChIKeyADPJTVOXDVDLGB-UHFFFAOYSA-N
XLogP5.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

quinoline
CID 76974643
bromomethylbenzene;quinoline
CID 23497775
ethane;ethylbenzene;quinoline
CID 143401699
CID 159709187
CID 159709187
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
N-methylmethanamine;quinoline
CID 155742214
quinoline;titanium;hydrate
CID 174714429
quinoline;quinoxaline
CID 66672759

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;quinoline?
The IUPAC name of benzylbenzene;quinoline (CID 157081554) is benzylbenzene;quinoline.
What is the SMILES notation for benzylbenzene;quinoline?
The canonical SMILES for benzylbenzene;quinoline is c1ccc(Cc2ccccc2)cc1.c1ccc2ncccc2c1.
What is the InChIKey of benzylbenzene;quinoline?
The InChIKey is ADPJTVOXDVDLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C9H7N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-6-9-8(4-1)5-3-7-10-9/h1-10H,11H2;1-7H.
What are the key properties of benzylbenzene;quinoline?
benzylbenzene;quinoline has a molecular weight of 297.40 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;quinoline is sourced from PubChem (CID 157081554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).