ethane;5,6,11,12-tetraphenyltetracene

C50H52 — CID 91142519

IUPACethane;5,6,11,12-tetraphenyltetracene
SMILESCC.CC.CC.CC.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1
InChIInChI=1S/C42H28.4C2H6/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;4*1-2/h1-28H;4*1-2H3
InChIKeyZOAIOOLYBNTRMD-UHFFFAOYSA-N
MW652.97 g/mol
LogP15.92
Rot. Bonds4

About ethane;5,6,11,12-tetraphenyltetracene

ethane;5,6,11,12-tetraphenyltetracene (PubChem CID 91142519) has the molecular formula C50H52 and a molecular weight of 652.97 g/mol. Its IUPAC name is ethane;5,6,11,12-tetraphenyltetracene.

Molecular Properties

Compound Nameethane;5,6,11,12-tetraphenyltetracene
PubChem CID91142519
Molecular FormulaC50H52
Molecular Weight652.97 g/mol
Exact Mass652.41
IUPAC Nameethane;5,6,11,12-tetraphenyltetracene
SMILESCC.CC.CC.CC.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1
InChIInChI=1S/C42H28.4C2H6/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;4*1-2/h1-28H;4*1-2H3
InChIKeyZOAIOOLYBNTRMD-UHFFFAOYSA-N
XLogP15.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.97
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-(2-methylphenyl)-6,11,12-triphenyltetracene
CID 59307472
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
CID 160818251
anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene
CID 158487652
azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane
CID 144663155
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
chrysene;coronene;phenanthrene;5,6,11,12-tetraphenyltetracene
CID 174892643
9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene
CID 157434861
5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
CID 22935008
5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene
CID 21043375
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907

Frequently Asked Questions

What is the IUPAC name of ethane;5,6,11,12-tetraphenyltetracene?
The IUPAC name of ethane;5,6,11,12-tetraphenyltetracene (CID 91142519) is ethane;5,6,11,12-tetraphenyltetracene.
What is the SMILES notation for ethane;5,6,11,12-tetraphenyltetracene?
The canonical SMILES for ethane;5,6,11,12-tetraphenyltetracene is CC.CC.CC.CC.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1.
What is the InChIKey of ethane;5,6,11,12-tetraphenyltetracene?
The InChIKey is ZOAIOOLYBNTRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28.4C2H6/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;4*1-2/h1-28H;4*1-2H3.
What are the key properties of ethane;5,6,11,12-tetraphenyltetracene?
ethane;5,6,11,12-tetraphenyltetracene has a molecular weight of 652.97 g/mol, XLogP of 15.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5,6,11,12-tetraphenyltetracene is sourced from PubChem (CID 91142519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).