ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene

C37H30 — CID 142592981

IUPACethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene
SMILESCC.Cc1ccc(-c2c(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc3ccccc23)cc1
InChIInChI=1S/C35H24.C2H6/c1-23-14-16-25(17-15-23)35-27-9-3-2-8-24(27)18-20-28(35)26-19-21-33-31-12-5-4-10-29(31)30-11-6-7-13-32(30)34(33)22-26;1-2/h2-22H,1H3;1-2H3
InChIKeyLPIZORXJNWFDTP-UHFFFAOYSA-N
MW474.65 g/mol
LogP10.97
Rot. Bonds2

About ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene

ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene (PubChem CID 142592981) has the molecular formula C37H30 and a molecular weight of 474.65 g/mol. Its IUPAC name is ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene.

Molecular Properties

Compound Nameethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene
PubChem CID142592981
Molecular FormulaC37H30
Molecular Weight474.65 g/mol
Exact Mass474.23
IUPAC Nameethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene
SMILESCC.Cc1ccc(-c2c(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc3ccccc23)cc1
InChIInChI=1S/C35H24.C2H6/c1-23-14-16-25(17-15-23)35-27-9-3-2-8-24(27)18-20-28(35)26-19-21-33-31-12-5-4-10-29(31)30-11-6-7-13-32(30)34(33)22-26;1-2/h2-22H,1H3;1-2H3
InChIKeyLPIZORXJNWFDTP-UHFFFAOYSA-N
XLogP10.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 510.97
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

2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene
CID 145415013
2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene
CID 142593010
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
ethane;3-(4-methylphenyl)phenanthrene
CID 142353065
1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine
CID 142592974
2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
CID 155416651
1,2-diphenylnaphthalene
CID 11208267
ethane;methane;2-(4-methylphenyl)triphenylene
CID 144703361
1,2-bis(4-tert-butylphenyl)naphthalene
CID 163894539
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
9,10-dimethyl-3-naphthalen-1-ylphenanthrene
CID 158591349

Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene?
The IUPAC name of ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene (CID 142592981) is ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene.
What is the SMILES notation for ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene?
The canonical SMILES for ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene is CC.Cc1ccc(-c2c(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc3ccccc23)cc1.
What is the InChIKey of ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene?
The InChIKey is LPIZORXJNWFDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24.C2H6/c1-23-14-16-25(17-15-23)35-27-9-3-2-8-24(27)18-20-28(35)26-19-21-33-31-12-5-4-10-29(31)30-11-6-7-13-32(30)34(33)22-26;1-2/h2-22H,1H3;1-2H3.
What are the key properties of ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene?
ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene has a molecular weight of 474.65 g/mol, XLogP of 10.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene is sourced from PubChem (CID 142592981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).