8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene

C63H92 — CID 161072697

IUPAC8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CC3CC2C2CCCC32)cc1
InChIInChI=1S/C25H20.C22H24.8C2H6/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-3-8-17(9-4-1)22(18-10-5-2-6-11-18)15-16-14-21(22)20-13-7-12-19(16)20;8*1-2/h1-20H;1-6,8-11,16,19-21H,7,12-15H2;8*1-2H3
InChIKeyUEWDJHRKCRWBNV-UHFFFAOYSA-N
MW849.43 g/mol
LogP19.71
Rot. Bonds6

About 8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene

8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene (PubChem CID 161072697) has the molecular formula C63H92 and a molecular weight of 849.43 g/mol. Its IUPAC name is 8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene.

Molecular Properties

Compound Name8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene
PubChem CID161072697
Molecular FormulaC63H92
Molecular Weight849.43 g/mol
Exact Mass848.72
IUPAC Name8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CC3CC2C2CCCC32)cc1
InChIInChI=1S/C25H20.C22H24.8C2H6/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-3-8-17(9-4-1)22(18-10-5-2-6-11-18)15-16-14-21(22)20-13-7-12-19(16)20;8*1-2/h1-20H;1-6,8-11,16,19-21H,7,12-15H2;8*1-2H3
InChIKeyUEWDJHRKCRWBNV-UHFFFAOYSA-N
XLogP19.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.43
LogP ≤ 519.71
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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Related Compounds

4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol
CID 23227246
pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene
CID 158654740
4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol
CID 11887854
2-[8-(2-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol
CID 19877938
4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 155725158
(1S,2R,6R,7S)-8,8-bis(3,5-dibromo-4-methoxyphenyl)tricyclo[5.2.1.02,6]decane
CID 129198895
9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane
CID 91591704
4-[6-[8-[3-(3-hydroxybutyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-8-tricyclo[5.2.1.02,6]decanyl]-2,4-dihydro-1,3-benzoxazin-3-yl]butan-2-ol
CID 177085281
4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol
CID 161375785
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
bicyclo[2.2.0]hexane;tert-butylbenzene
CID 174393348
8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol
CID 79699596

Frequently Asked Questions

What is the IUPAC name of 8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene?
The IUPAC name of 8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene (CID 161072697) is 8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene.
What is the SMILES notation for 8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene?
The canonical SMILES for 8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene is CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CC3CC2C2CCCC32)cc1.
What is the InChIKey of 8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene?
The InChIKey is UEWDJHRKCRWBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20.C22H24.8C2H6/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-3-8-17(9-4-1)22(18-10-5-2-6-11-18)15-16-14-21(22)20-13-7-12-19(16)20;8*1-2/h1-20H;1-6,8-11,16,19-21H,7,12-15H2;8*1-2H3.
What are the key properties of 8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene?
8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene has a molecular weight of 849.43 g/mol, XLogP of 19.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene is sourced from PubChem (CID 161072697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).