10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine

C41H38BNSSi2 — CID 166563249

IUPAC10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine
SMILESCC1(C)c2ccccc2-c2c1sc1c2B2c3ccc(N(c4ccccc4)c4ccccc4)cc3[Si](C)(C)c3cccc(c32)[Si]1(C)C
InChIInChI=1S/C41H38BNSSi2/c1-41(2)31-21-14-13-20-30(31)36-38-40(44-39(36)41)46(5,6)34-23-15-22-33-37(34)42(38)32-25-24-29(26-35(32)45(33,3)4)43(27-16-9-7-10-17-27)28-18-11-8-12-19-28/h7-26H,1-6H3
InChIKeyJYSKDFMEYYUTBL-UHFFFAOYSA-N
MW643.81 g/mol
LogP6.31
Rot. Bonds3

About 10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine

10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine (PubChem CID 166563249) has the molecular formula C41H38BNSSi2 and a molecular weight of 643.81 g/mol. Its IUPAC name is 10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine.

Molecular Properties

Compound Name10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine
PubChem CID166563249
Molecular FormulaC41H38BNSSi2
Molecular Weight643.81 g/mol
Exact Mass643.24
IUPAC Name10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine
SMILESCC1(C)c2ccccc2-c2c1sc1c2B2c3ccc(N(c4ccccc4)c4ccccc4)cc3[Si](C)(C)c3cccc(c32)[Si]1(C)C
InChIInChI=1S/C41H38BNSSi2/c1-41(2)31-21-14-13-20-30(31)36-38-40(44-39(36)41)46(5,6)34-23-15-22-33-37(34)42(38)32-25-24-29(26-35(32)45(33,3)4)43(27-16-9-7-10-17-27)28-18-11-8-12-19-28/h7-26H,1-6H3
InChIKeyJYSKDFMEYYUTBL-UHFFFAOYSA-N
XLogP6.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.81
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine?
The IUPAC name of 10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine (CID 166563249) is 10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine.
What is the SMILES notation for 10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine?
The canonical SMILES for 10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine is CC1(C)c2ccccc2-c2c1sc1c2B2c3ccc(N(c4ccccc4)c4ccccc4)cc3[Si](C)(C)c3cccc(c32)[Si]1(C)C.
What is the InChIKey of 10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine?
The InChIKey is JYSKDFMEYYUTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38BNSSi2/c1-41(2)31-21-14-13-20-30(31)36-38-40(44-39(36)41)46(5,6)34-23-15-22-33-37(34)42(38)32-25-24-29(26-35(32)45(33,3)4)43(27-16-9-7-10-17-27)28-18-11-8-12-19-28/h7-26H,1-6H3.
What are the key properties of 10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine?
10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine has a molecular weight of 643.81 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,14,14,20,20-hexamethyl-N,N-diphenyl-12-thia-14,20-disila-1-boraheptacyclo[13.11.1.02,13.03,11.04,9.019,27.021,26]heptacosa-2(13),3(11),4,6,8,15,17,19(27),21(26),22,24-undecaen-23-amine is sourced from PubChem (CID 166563249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).