[(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane

C42H40Si — CID 164672219

IUPAC[(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane
SMILESC[Si](C)(C)C1C[C@H]2Cc3c(-c4ccccc4)cc4ccccc4c3-c3c(c(-c4ccccc4)cc4ccccc34)C[C@H]2C1
InChIInChI=1S/C42H40Si/c1-43(2,3)34-22-32-26-39-37(28-14-6-4-7-15-28)24-30-18-10-12-20-35(30)41(39)42-36-21-13-11-19-31(36)25-38(29-16-8-5-9-17-29)40(42)27-33(32)23-34/h4-21,24-25,32-34H,22-23,26-27H2,1-3H3/t32-,33+,34?
InChIKeyRJBMLEKEFRFZDG-CRBFYLPFSA-N
MW572.87 g/mol
LogP11.83
Rot. Bonds3

About [(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane

[(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane (PubChem CID 164672219) has the molecular formula C42H40Si and a molecular weight of 572.87 g/mol. Its IUPAC name is [(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane.

Molecular Properties

Compound Name[(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane
PubChem CID164672219
Molecular FormulaC42H40Si
Molecular Weight572.87 g/mol
Exact Mass572.29
IUPAC Name[(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane
SMILESC[Si](C)(C)C1C[C@H]2Cc3c(-c4ccccc4)cc4ccccc4c3-c3c(c(-c4ccccc4)cc4ccccc34)C[C@H]2C1
InChIInChI=1S/C42H40Si/c1-43(2,3)34-22-32-26-39-37(28-14-6-4-7-15-28)24-30-18-10-12-20-35(30)41(39)42-36-21-13-11-19-31(36)25-38(29-16-8-5-9-17-29)40(42)27-33(32)23-34/h4-21,24-25,32-34H,22-23,26-27H2,1-3H3/t32-,33+,34?
InChIKeyRJBMLEKEFRFZDG-CRBFYLPFSA-N
XLogP11.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.87
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane with MolForge

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Related Compounds

10,13,16-triphenyl-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 102315162
13,13-dibutyl-10,16-diphenyl-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene bromide
CID 159201858
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CID 178068265
13,13-dibutyl-10,16-bis(4-phenylphenyl)-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene bromide
CID 11228121
10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 22973849
dilithium;1-(2-oxido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
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CID 132575879
10,16-bis(4-tert-butylphenyl)-13,13-dimethyl-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
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Frequently Asked Questions

What is the IUPAC name of [(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane?
The IUPAC name of [(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane (CID 164672219) is [(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane.
What is the SMILES notation for [(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane?
The canonical SMILES for [(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane is C[Si](C)(C)C1C[C@H]2Cc3c(-c4ccccc4)cc4ccccc4c3-c3c(c(-c4ccccc4)cc4ccccc34)C[C@H]2C1.
What is the InChIKey of [(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane?
The InChIKey is RJBMLEKEFRFZDG-CRBFYLPFSA-N. The full InChI is InChI=1S/C42H40Si/c1-43(2,3)34-22-32-26-39-37(28-14-6-4-7-15-28)24-30-18-10-12-20-35(30)41(39)42-36-21-13-11-19-31(36)25-38(29-16-8-5-9-17-29)40(42)27-33(32)23-34/h4-21,24-25,32-34H,22-23,26-27H2,1-3H3/t32-,33+,34?.
What are the key properties of [(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane?
[(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane has a molecular weight of 572.87 g/mol, XLogP of 11.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane is sourced from PubChem (CID 164672219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).