anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene

C175H210 — CID 161069048

IUPACanthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/6C15H14.C14H10.C12H10.C10H8.C7H8.3C6H6.12C2H6/c6*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;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;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;12*1-2/h6*3-10H,1-2H3;1-10H;1-10H;1-8H;2-6H,1H3;3*1-6H;12*1-2H3
InChIKeyUEKJSLRGXLVHJB-UHFFFAOYSA-N
MW2313.60 g/mol
LogP53.51
Rot. Bonds1

About anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene

anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene (PubChem CID 161069048) has the molecular formula C175H210 and a molecular weight of 2313.60 g/mol. Its IUPAC name is anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene.

Molecular Properties

Compound Nameanthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene
PubChem CID161069048
Molecular FormulaC175H210
Molecular Weight2313.60 g/mol
Exact Mass2311.64
IUPAC Nameanthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/6C15H14.C14H10.C12H10.C10H8.C7H8.3C6H6.12C2H6/c6*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;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;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;12*1-2/h6*3-10H,1-2H3;1-10H;1-10H;1-8H;2-6H,1H3;3*1-6H;12*1-2H3
InChIKeyUEKJSLRGXLVHJB-UHFFFAOYSA-N
XLogP53.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms175
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002313.60
LogP ≤ 553.51
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

2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane
CID 144583357
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
2-methylnaphthalene;2,9,9-trimethylfluorene
CID 144639676
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
anthracene;benzene;1,1'-biphenyl;chrysene;9,9-dimethylfluorene;(2,2-dimethylpropane);1,4-diphenylbenzene;methane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene
CID 159148400
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene
CID 158732908

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene?
The IUPAC name of anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene (CID 161069048) is anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene.
What is the SMILES notation for anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene?
The canonical SMILES for anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene?
The InChIKey is UEKJSLRGXLVHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/6C15H14.C14H10.C12H10.C10H8.C7H8.3C6H6.12C2H6/c6*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;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;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;12*1-2/h6*3-10H,1-2H3;1-10H;1-10H;1-8H;2-6H,1H3;3*1-6H;12*1-2H3.
What are the key properties of anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene?
anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene has a molecular weight of 2313.60 g/mol, XLogP of 53.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene is sourced from PubChem (CID 161069048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).