benzene;methane;naphthalene;pyridine;quinoline

C33H38N2 — CID 159165842

IUPACbenzene;methane;naphthalene;pyridine;quinoline
SMILESC.C.C.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C10H8.C9H7N.C6H6.C5H5N.3CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-6-5-3-1;;;/h1-8H;1-7H;1-6H;1-5H;3*1H4
InChIKeyKLBFLRLLPIUIAD-UHFFFAOYSA-N
MW462.68 g/mol
LogP9.75
Rot. Bonds

About benzene;methane;naphthalene;pyridine;quinoline

benzene;methane;naphthalene;pyridine;quinoline (PubChem CID 159165842) has the molecular formula C33H38N2 and a molecular weight of 462.68 g/mol. Its IUPAC name is benzene;methane;naphthalene;pyridine;quinoline.

Molecular Properties

Compound Namebenzene;methane;naphthalene;pyridine;quinoline
PubChem CID159165842
Molecular FormulaC33H38N2
Molecular Weight462.68 g/mol
Exact Mass462.30
IUPAC Namebenzene;methane;naphthalene;pyridine;quinoline
SMILESC.C.C.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C10H8.C9H7N.C6H6.C5H5N.3CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-6-5-3-1;;;/h1-8H;1-7H;1-6H;1-5H;3*1H4
InChIKeyKLBFLRLLPIUIAD-UHFFFAOYSA-N
XLogP9.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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quinoline;silver
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osmium(2+);quinoline
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CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
ethane;methanol;quinoline
CID 90686502
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Frequently Asked Questions

What is the IUPAC name of benzene;methane;naphthalene;pyridine;quinoline?
The IUPAC name of benzene;methane;naphthalene;pyridine;quinoline (CID 159165842) is benzene;methane;naphthalene;pyridine;quinoline.
What is the SMILES notation for benzene;methane;naphthalene;pyridine;quinoline?
The canonical SMILES for benzene;methane;naphthalene;pyridine;quinoline is C.C.C.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.
What is the InChIKey of benzene;methane;naphthalene;pyridine;quinoline?
The InChIKey is KLBFLRLLPIUIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H7N.C6H6.C5H5N.3CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-6-5-3-1;;;/h1-8H;1-7H;1-6H;1-5H;3*1H4.
What are the key properties of benzene;methane;naphthalene;pyridine;quinoline?
benzene;methane;naphthalene;pyridine;quinoline has a molecular weight of 462.68 g/mol, XLogP of 9.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methane;naphthalene;pyridine;quinoline is sourced from PubChem (CID 159165842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).