carbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium)

C108H128Y24-12 — CID 157433703

IUPACcarbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium)
SMILESCC.CC.Cc1cc(C)c2c(c1)-c1c(ccc3c1-c1cccc(C)c1C3)C2.Cc1cc(C)c2c(c1)-c1c(ccc3c1-c1cccc(C)c1C3)C2.Cc1ccc2c(c1)-c1c(ccc3c1-c1cc(C)cc(C)c1C3)C2.Cc1ccc2c(c1)-c1c(ccc3c1-c1cc(C)cc(C)c1C3)C2.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/4C23H20.2C2H6.12CH3.24Y/c2*1-13-4-5-16-11-17-6-7-18-12-19-15(3)8-14(2)10-21(19)23(18)22(17)20(16)9-13;2*1-13-9-15(3)20-12-17-8-7-16-11-19-14(2)5-4-6-18(19)22(16)23(17)21(20)10-13;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*4-10H,11-12H2,1-3H3;2*1-2H3;12*1H3;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;12*-1;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyOGMFUEGBPHCTOC-UHFFFAOYSA-N
MW3559.96 g/mol
LogP30.41
Rot. Bonds

About carbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium)

carbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium) (PubChem CID 157433703) has the molecular formula C108H128Y24-12 and a molecular weight of 3559.96 g/mol. Its IUPAC name is carbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium).

Molecular Properties

Compound Namecarbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium)
PubChem CID157433703
Molecular FormulaC108H128Y24-12
Molecular Weight3559.96 g/mol
Exact Mass3558.75
IUPAC Namecarbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium)
SMILESCC.CC.Cc1cc(C)c2c(c1)-c1c(ccc3c1-c1cccc(C)c1C3)C2.Cc1cc(C)c2c(c1)-c1c(ccc3c1-c1cccc(C)c1C3)C2.Cc1ccc2c(c1)-c1c(ccc3c1-c1cc(C)cc(C)c1C3)C2.Cc1ccc2c(c1)-c1c(ccc3c1-c1cc(C)cc(C)c1C3)C2.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/4C23H20.2C2H6.12CH3.24Y/c2*1-13-4-5-16-11-17-6-7-18-12-19-15(3)8-14(2)10-21(19)23(18)22(17)20(16)9-13;2*1-13-9-15(3)20-12-17-8-7-16-11-19-14(2)5-4-6-18(19)22(16)23(17)21(20)10-13;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*4-10H,11-12H2,1-3H3;2*1-2H3;12*1H3;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;12*-1;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyOGMFUEGBPHCTOC-UHFFFAOYSA-N
XLogP30.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003559.96
LogP ≤ 530.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium)?
The IUPAC name of carbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium) (CID 157433703) is carbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium).
What is the SMILES notation for carbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium)?
The canonical SMILES for carbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium) is CC.CC.Cc1cc(C)c2c(c1)-c1c(ccc3c1-c1cccc(C)c1C3)C2.Cc1cc(C)c2c(c1)-c1c(ccc3c1-c1cccc(C)c1C3)C2.Cc1ccc2c(c1)-c1c(ccc3c1-c1cc(C)cc(C)c1C3)C2.Cc1ccc2c(c1)-c1c(ccc3c1-c1cc(C)cc(C)c1C3)C2.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium)?
The InChIKey is OGMFUEGBPHCTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C23H20.2C2H6.12CH3.24Y/c2*1-13-4-5-16-11-17-6-7-18-12-19-15(3)8-14(2)10-21(19)23(18)22(17)20(16)9-13;2*1-13-9-15(3)20-12-17-8-7-16-11-19-14(2)5-4-6-18(19)22(16)23(17)21(20)10-13;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*4-10H,11-12H2,1-3H3;2*1-2H3;12*1H3;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;12*-1;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of carbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium)?
carbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium) has a molecular weight of 3559.96 g/mol, XLogP of 30.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;bis(5,7,16-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);bis(5,7,18-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene);(yttrium) is sourced from PubChem (CID 157433703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).