bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene

C216H318 — CID 160813264

IUPACbis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene
SMILESC.C.C1CCC2CCCCC2C1.C1CCC2CCCCC2C1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/2C25H18.2C13H12.2C12H10.2C10H18.2C10H8.2C7H8.C6H12.C6H6.24C2H6.2CH4/c2*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;4*1-2-6-10-8-4-3-7-9(10)5-1;2*1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;24*1-2;;/h2*1-18H;2*1-10H,11H2;2*1-10H;2*9-10H,1-8H2;2*1-8H;2*2-6H,1H3;1-6H2;1-6H;24*1-2H3;2*1H4
InChIKeySEOOFMCNZYCVJS-UHFFFAOYSA-N
MW2914.92 g/mol
LogP71.69
Rot. Bonds10

About bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene

bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene (PubChem CID 160813264) has the molecular formula C216H318 and a molecular weight of 2914.92 g/mol. Its IUPAC name is bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene.

Molecular Properties

Compound Namebis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene
PubChem CID160813264
Molecular FormulaC216H318
Molecular Weight2914.92 g/mol
Exact Mass2912.49
IUPAC Namebis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene
SMILESC.C.C1CCC2CCCCC2C1.C1CCC2CCCCC2C1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/2C25H18.2C13H12.2C12H10.2C10H18.2C10H8.2C7H8.C6H12.C6H6.24C2H6.2CH4/c2*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;4*1-2-6-10-8-4-3-7-9(10)5-1;2*1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;24*1-2;;/h2*1-18H;2*1-10H,11H2;2*1-10H;2*9-10H,1-8H2;2*1-8H;2*2-6H,1H3;1-6H2;1-6H;24*1-2H3;2*1H4
InChIKeySEOOFMCNZYCVJS-UHFFFAOYSA-N
XLogP71.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms216
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002914.92
LogP ≤ 571.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene with MolForge

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Related Compounds

benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene
CID 160693134
9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene
CID 58233535
benzylbenzene;1,1'-biphenyl;ethane;methane;naphthalene
CID 160690340
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,1'-biphenyl;1,3-dibenzylbenzene;1,4-dibenzylbenzene;9,9-diphenylfluorene;ethane;2-phenylpropan-2-ylbenzene
CID 160849970
1,3-bis(4-methylphenyl)adamantane;9,9-bis(4-methylphenyl)fluorene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 159271152
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;methane
CID 145331804
anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene
CID 161069048
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317

Frequently Asked Questions

What is the IUPAC name of bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene?
The IUPAC name of bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene (CID 160813264) is bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene.
What is the SMILES notation for bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene?
The canonical SMILES for bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene is C.C.C1CCC2CCCCC2C1.C1CCC2CCCCC2C1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene?
The InChIKey is SEOOFMCNZYCVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H18.2C13H12.2C12H10.2C10H18.2C10H8.2C7H8.C6H12.C6H6.24C2H6.2CH4/c2*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;4*1-2-6-10-8-4-3-7-9(10)5-1;2*1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;24*1-2;;/h2*1-18H;2*1-10H,11H2;2*1-10H;2*9-10H,1-8H2;2*1-8H;2*2-6H,1H3;1-6H2;1-6H;24*1-2H3;2*1H4.
What are the key properties of bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene?
bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene has a molecular weight of 2914.92 g/mol, XLogP of 71.69, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene is sourced from PubChem (CID 160813264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).