1,1'-biphenyl;naphthalene;phenanthrene

C36H28 — CID 157410235

IUPAC1,1'-biphenyl;naphthalene;phenanthrene
SMILESc1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2ccccc2c1
InChIInChI=1S/C14H10.C12H10.C10H8/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1/h1-10H;1-10H;1-8H
InChIKeyBOERESLGOPHLBP-UHFFFAOYSA-N
MW460.62 g/mol
LogP10.19
Rot. Bonds1

About 1,1'-biphenyl;naphthalene;phenanthrene

1,1'-biphenyl;naphthalene;phenanthrene (PubChem CID 157410235) has the molecular formula C36H28 and a molecular weight of 460.62 g/mol. Its IUPAC name is 1,1'-biphenyl;naphthalene;phenanthrene.

Molecular Properties

Compound Name1,1'-biphenyl;naphthalene;phenanthrene
PubChem CID157410235
Molecular FormulaC36H28
Molecular Weight460.62 g/mol
Exact Mass460.22
IUPAC Name1,1'-biphenyl;naphthalene;phenanthrene
SMILESc1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2ccccc2c1
InChIInChI=1S/C14H10.C12H10.C10H8/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1/h1-10H;1-10H;1-8H
InChIKeyBOERESLGOPHLBP-UHFFFAOYSA-N
XLogP10.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
benzene;1,4-diphenylbenzene;naphthalene;phenanthrene;pyrene;triphenylene
CID 174918554
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene
CID 161125240
CID 172725087
CID 172725087
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
anthracene;naphthalene;phenanthrene
CID 158591187
1,1'-biphenyl;ethane;naphthalene
CID 160802649
1,3-diphenylphenanthrene
CID 13011098
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
anthracene;benzene;ethane;methane;naphthalene;phenanthrene
CID 165100434

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;naphthalene;phenanthrene?
The IUPAC name of 1,1'-biphenyl;naphthalene;phenanthrene (CID 157410235) is 1,1'-biphenyl;naphthalene;phenanthrene.
What is the SMILES notation for 1,1'-biphenyl;naphthalene;phenanthrene?
The canonical SMILES for 1,1'-biphenyl;naphthalene;phenanthrene is c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2ccccc2c1.
What is the InChIKey of 1,1'-biphenyl;naphthalene;phenanthrene?
The InChIKey is BOERESLGOPHLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C12H10.C10H8/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1/h1-10H;1-10H;1-8H.
What are the key properties of 1,1'-biphenyl;naphthalene;phenanthrene?
1,1'-biphenyl;naphthalene;phenanthrene has a molecular weight of 460.62 g/mol, XLogP of 10.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;naphthalene;phenanthrene is sourced from PubChem (CID 157410235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).