8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene

C46H36Si2 — CID 59181841

IUPAC8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
SMILESC[Si]1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc3c4c(ccc1c24)[Si](C)(C)c1cc(-c2ccc4ccccc4c2)ccc1-3
InChIInChI=1S/C46H36Si2/c1-47(2)41-23-24-42-46-40(38-20-18-36(28-44(38)48(42,3)4)34-16-14-30-10-6-8-12-32(30)26-34)22-21-39(45(41)46)37-19-17-35(27-43(37)47)33-15-13-29-9-5-7-11-31(29)25-33/h5-28H,1-4H3
InChIKeySBDPMUDEKCECKM-UHFFFAOYSA-N
MW644.97 g/mol
LogP10.09
Rot. Bonds2

About 8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene

8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene (PubChem CID 59181841) has the molecular formula C46H36Si2 and a molecular weight of 644.97 g/mol. Its IUPAC name is 8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene.

Molecular Properties

Compound Name8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
PubChem CID59181841
Molecular FormulaC46H36Si2
Molecular Weight644.97 g/mol
Exact Mass644.24
IUPAC Name8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
SMILESC[Si]1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc3c4c(ccc1c24)[Si](C)(C)c1cc(-c2ccc4ccccc4c2)ccc1-3
InChIInChI=1S/C46H36Si2/c1-47(2)41-23-24-42-46-40(38-20-18-36(28-44(38)48(42,3)4)34-16-14-30-10-6-8-12-32(30)26-34)22-21-39(45(41)46)37-19-17-35(27-43(37)47)33-15-13-29-9-5-7-11-31(29)25-33/h5-28H,1-4H3
InChIKeySBDPMUDEKCECKM-UHFFFAOYSA-N
XLogP10.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.97
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
The IUPAC name of 8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene (CID 59181841) is 8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene.
What is the SMILES notation for 8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
The canonical SMILES for 8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene is C[Si]1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc3c4c(ccc1c24)[Si](C)(C)c1cc(-c2ccc4ccccc4c2)ccc1-3.
What is the InChIKey of 8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
The InChIKey is SBDPMUDEKCECKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36Si2/c1-47(2)41-23-24-42-46-40(38-20-18-36(28-44(38)48(42,3)4)34-16-14-30-10-6-8-12-32(30)26-34)22-21-39(45(41)46)37-19-17-35(27-43(37)47)33-15-13-29-9-5-7-11-31(29)25-33/h5-28H,1-4H3.
What are the key properties of 8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene has a molecular weight of 644.97 g/mol, XLogP of 10.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene is sourced from PubChem (CID 59181841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).