adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane

C157H256 — CID 163641470

IUPACadamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane
SMILESC1C2CC3CC1CC(C2)C3.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(C2(c3ccccc3)CCCCCCCCC2)cc1.c1ccc(C2(c3ccccc3)CCCCCCCCCCC2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C25H18.C24H32.C22H28.C20H18.C10H16.2C6H6.22C2H6/c1-3-11-19(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;1-2-4-6-14-20-24(21-15-7-5-3-1,22-16-10-8-11-17-22)23-18-12-9-13-19-23;1-2-4-12-18-22(19-13-5-3-1,20-14-8-6-9-15-20)21-16-10-7-11-17-21;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-2-4-6-5-3-1;22*1-2/h1-18H;8-13,16-19H,1-7,14-15,20-21H2;6-11,14-17H,1-5,12-13,18-19H2;2-16H,1H3;7-10H,1-6H2;2*1-6H;22*1-2H3
InChIKeyIEPUIEYJQQIKBR-UHFFFAOYSA-N
MW2143.77 g/mol
LogP53.65
Rot. Bonds9

About adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane

adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane (PubChem CID 163641470) has the molecular formula C157H256 and a molecular weight of 2143.77 g/mol. Its IUPAC name is adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane.

Molecular Properties

Compound Nameadamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane
PubChem CID163641470
Molecular FormulaC157H256
Molecular Weight2143.77 g/mol
Exact Mass2142.00
IUPAC Nameadamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane
SMILESC1C2CC3CC1CC(C2)C3.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(C2(c3ccccc3)CCCCCCCCC2)cc1.c1ccc(C2(c3ccccc3)CCCCCCCCCCC2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C25H18.C24H32.C22H28.C20H18.C10H16.2C6H6.22C2H6/c1-3-11-19(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;1-2-4-6-14-20-24(21-15-7-5-3-1,22-16-10-8-11-17-22)23-18-12-9-13-19-23;1-2-4-12-18-22(19-13-5-3-1,20-14-8-6-9-15-20)21-16-10-7-11-17-21;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-2-4-6-5-3-1;22*1-2/h1-18H;8-13,16-19H,1-7,14-15,20-21H2;6-11,14-17H,1-5,12-13,18-19H2;2-16H,1H3;7-10H,1-6H2;2*1-6H;22*1-2H3
InChIKeyIEPUIEYJQQIKBR-UHFFFAOYSA-N
XLogP53.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002143.77
LogP ≤ 553.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane?
The IUPAC name of adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane (CID 163641470) is adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane.
What is the SMILES notation for adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane?
The canonical SMILES for adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane is C1C2CC3CC1CC(C2)C3.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(C2(c3ccccc3)CCCCCCCCC2)cc1.c1ccc(C2(c3ccccc3)CCCCCCCCCCC2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccccc1.c1ccccc1.
What is the InChIKey of adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane?
The InChIKey is IEPUIEYJQQIKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.C24H32.C22H28.C20H18.C10H16.2C6H6.22C2H6/c1-3-11-19(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;1-2-4-6-14-20-24(21-15-7-5-3-1,22-16-10-8-11-17-22)23-18-12-9-13-19-23;1-2-4-12-18-22(19-13-5-3-1,20-14-8-6-9-15-20)21-16-10-7-11-17-21;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-2-4-6-5-3-1;22*1-2/h1-18H;8-13,16-19H,1-7,14-15,20-21H2;6-11,14-17H,1-5,12-13,18-19H2;2-16H,1H3;7-10H,1-6H2;2*1-6H;22*1-2H3.
What are the key properties of adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane?
adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane has a molecular weight of 2143.77 g/mol, XLogP of 53.65, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane is sourced from PubChem (CID 163641470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).