1,1'-biphenyl;ethylbenzene;naphthalene

C30H28 — CID 163537509

IUPAC1,1'-biphenyl;ethylbenzene;naphthalene
SMILESCCc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1
InChIInChI=1S/C12H10.C10H8.C8H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-8-6-4-3-5-7-8/h1-10H;1-8H;3-7H,2H2,1H3
InChIKeyDYGLENLDUMQDHY-UHFFFAOYSA-N
MW388.55 g/mol
LogP8.44
Rot. Bonds2

About 1,1'-biphenyl;ethylbenzene;naphthalene

1,1'-biphenyl;ethylbenzene;naphthalene (PubChem CID 163537509) has the molecular formula C30H28 and a molecular weight of 388.55 g/mol. Its IUPAC name is 1,1'-biphenyl;ethylbenzene;naphthalene.

Molecular Properties

Compound Name1,1'-biphenyl;ethylbenzene;naphthalene
PubChem CID163537509
Molecular FormulaC30H28
Molecular Weight388.55 g/mol
Exact Mass388.22
IUPAC Name1,1'-biphenyl;ethylbenzene;naphthalene
SMILESCCc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1
InChIInChI=1S/C12H10.C10H8.C8H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-8-6-4-3-5-7-8/h1-10H;1-8H;3-7H,2H2,1H3
InChIKeyDYGLENLDUMQDHY-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
ethylcyclodecapentaene
CID 90861705
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene
CID 160824127
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
ethylbenzene;propane;hydroiodide
CID 142182216
ethane;ethylbenzene;propane
CID 91199618
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
benzylbenzene;1,1'-biphenyl;ethane;methane;naphthalene
CID 160690340

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;ethylbenzene;naphthalene?
The IUPAC name of 1,1'-biphenyl;ethylbenzene;naphthalene (CID 163537509) is 1,1'-biphenyl;ethylbenzene;naphthalene.
What is the SMILES notation for 1,1'-biphenyl;ethylbenzene;naphthalene?
The canonical SMILES for 1,1'-biphenyl;ethylbenzene;naphthalene is CCc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.
What is the InChIKey of 1,1'-biphenyl;ethylbenzene;naphthalene?
The InChIKey is DYGLENLDUMQDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H8.C8H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-8-6-4-3-5-7-8/h1-10H;1-8H;3-7H,2H2,1H3.
What are the key properties of 1,1'-biphenyl;ethylbenzene;naphthalene?
1,1'-biphenyl;ethylbenzene;naphthalene has a molecular weight of 388.55 g/mol, XLogP of 8.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;ethylbenzene;naphthalene is sourced from PubChem (CID 163537509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).