anthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine

C141H193F6NO — CID 160972426

IUPACanthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C18H14.C15H10F6.C14H10.C13H12.C12H10O.C12H10.C10H8.C6H6.C5H5N.18C2H6/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;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;2*1-2-4-6-5-3-1;18*1-2/h1-14H;1-10H;1-10H;1-10H,11H2;1-10H;1-10H;1-8H;1-6H;1-5H;18*1-2H3
InChIKeySYKXRLFEHHPCSS-UHFFFAOYSA-N
MW2032.09 g/mol
LogP48.30
Rot. Bonds9

About anthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine

anthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine (PubChem CID 160972426) has the molecular formula C141H193F6NO and a molecular weight of 2032.09 g/mol. Its IUPAC name is anthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine.

Molecular Properties

Compound Nameanthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine
PubChem CID160972426
Molecular FormulaC141H193F6NO
Molecular Weight2032.09 g/mol
Exact Mass2030.50
IUPAC Nameanthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C18H14.C15H10F6.C14H10.C13H12.C12H10O.C12H10.C10H8.C6H6.C5H5N.18C2H6/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;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;2*1-2-4-6-5-3-1;18*1-2/h1-14H;1-10H;1-10H;1-10H,11H2;1-10H;1-10H;1-8H;1-6H;1-5H;18*1-2H3
InChIKeySYKXRLFEHHPCSS-UHFFFAOYSA-N
XLogP48.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002032.09
LogP ≤ 548.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze anthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine?
The IUPAC name of anthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine (CID 160972426) is anthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine.
What is the SMILES notation for anthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine?
The canonical SMILES for anthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.
What is the InChIKey of anthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine?
The InChIKey is SYKXRLFEHHPCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.C15H10F6.C14H10.C13H12.C12H10O.C12H10.C10H8.C6H6.C5H5N.18C2H6/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;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;2*1-2-4-6-5-3-1;18*1-2/h1-14H;1-10H;1-10H;1-10H,11H2;1-10H;1-10H;1-8H;1-6H;1-5H;18*1-2H3.
What are the key properties of anthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine?
anthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine has a molecular weight of 2032.09 g/mol, XLogP of 48.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;pyridine is sourced from PubChem (CID 160972426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).