1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene

C44H32 — CID 173119187

IUPAC1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
SMILESc1ccc(-c2cccc(-c3cccc4ccccc34)c2-c2cccc3ccccc23)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H22.C12H10/c1-2-11-25(12-3-1)28-19-10-22-31(29-20-8-15-23-13-4-6-17-26(23)29)32(28)30-21-9-16-24-14-5-7-18-27(24)30;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-22H;1-10H
InChIKeyJNPMQYHPRSSLLL-UHFFFAOYSA-N
MW560.74 g/mol
LogP12.35
Rot. Bonds4

About 1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene

1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene (PubChem CID 173119187) has the molecular formula C44H32 and a molecular weight of 560.74 g/mol. Its IUPAC name is 1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene.

Molecular Properties

Compound Name1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
PubChem CID173119187
Molecular FormulaC44H32
Molecular Weight560.74 g/mol
Exact Mass560.25
IUPAC Name1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
SMILESc1ccc(-c2cccc(-c3cccc4ccccc34)c2-c2cccc3ccccc23)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H22.C12H10/c1-2-11-25(12-3-1)28-19-10-22-31(29-20-8-15-23-13-4-6-17-26(23)29)32(28)30-21-9-16-24-14-5-7-18-27(24)30;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-22H;1-10H
InChIKeyJNPMQYHPRSSLLL-UHFFFAOYSA-N
XLogP12.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.74
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 171447346
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
9-naphthalen-1-yl-10-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(4-phenylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159990389
2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
CID 166133941
3,4-dinaphthalen-1-yl-2-phenylaniline
CID 174903856
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168791070
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
CID 176639500
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297409

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene?
The IUPAC name of 1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene (CID 173119187) is 1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene.
What is the SMILES notation for 1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene?
The canonical SMILES for 1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene is c1ccc(-c2cccc(-c3cccc4ccccc34)c2-c2cccc3ccccc23)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene?
The InChIKey is JNPMQYHPRSSLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22.C12H10/c1-2-11-25(12-3-1)28-19-10-22-31(29-20-8-15-23-13-4-6-17-26(23)29)32(28)30-21-9-16-24-14-5-7-18-27(24)30;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-22H;1-10H.
What are the key properties of 1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene?
1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene has a molecular weight of 560.74 g/mol, XLogP of 12.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene is sourced from PubChem (CID 173119187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).