(3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene

C47H58N3PSi — CID 139114707

IUPAC(3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene
SMILESCC(C)c1cccc(C(C)C)c1N1C2=C([C@@H]3CC[C@H]2C3)P2C(c3ccccc3)=C(c3ccccc3)[Si@]1(c1ccccc1)N(C(C)C)CCN2C(C)C
InChIInChI=1S/C47H58N3PSi/c1-32(2)41-25-18-26-42(33(3)4)44(41)50-43-38-27-28-39(31-38)45(43)51-46(36-19-12-9-13-20-36)47(37-21-14-10-15-22-37)52(50,40-23-16-11-17-24-40)49(35(7)8)30-29-48(51)34(5)6/h9-26,32-35,38-39H,27-31H2,1-8H3/t38-,39+,51?,52+/m0/s1
InChIKeyBOFKOHWOZMEGKL-UWSHVOAXSA-N
MW724.06 g/mol
LogP11.68
Rot. Bonds8

About (3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene

(3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene (PubChem CID 139114707) has the molecular formula C47H58N3PSi and a molecular weight of 724.06 g/mol. Its IUPAC name is (3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene.

Molecular Properties

Compound Name(3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene
PubChem CID139114707
Molecular FormulaC47H58N3PSi
Molecular Weight724.06 g/mol
Exact Mass723.41
IUPAC Name(3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene
SMILESCC(C)c1cccc(C(C)C)c1N1C2=C([C@@H]3CC[C@H]2C3)P2C(c3ccccc3)=C(c3ccccc3)[Si@]1(c1ccccc1)N(C(C)C)CCN2C(C)C
InChIInChI=1S/C47H58N3PSi/c1-32(2)41-25-18-26-42(33(3)4)44(41)50-43-38-27-28-39(31-38)45(43)51-46(36-19-12-9-13-20-36)47(37-21-14-10-15-22-37)52(50,40-23-16-11-17-24-40)49(35(7)8)30-29-48(51)34(5)6/h9-26,32-35,38-39H,27-31H2,1-8H3/t38-,39+,51?,52+/m0/s1
InChIKeyBOFKOHWOZMEGKL-UWSHVOAXSA-N
XLogP11.68
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.06
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene with MolForge

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Related Compounds

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4',4'-dibromo-1,3-ditert-butyl-3'-[2,6-di(propan-2-yl)phenyl]-4,4-dimethylspiro[1,3-diaza-2λ5-phospha-4-silacyclobutane-2,6'-3-aza-6λ5-phospha-4-sila-5-boratricyclo[6.2.1.02,7]undeca-2(7),5-diene]
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4-[2,6-di(propan-2-yl)phenyl]-2-methyl-5-phenyl-3H-1,2,4-triazole
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Frequently Asked Questions

What is the IUPAC name of (3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene?
The IUPAC name of (3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene (CID 139114707) is (3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene.
What is the SMILES notation for (3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene?
The canonical SMILES for (3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene is CC(C)c1cccc(C(C)C)c1N1C2=C([C@@H]3CC[C@H]2C3)P2C(c3ccccc3)=C(c3ccccc3)[Si@]1(c1ccccc1)N(C(C)C)CCN2C(C)C.
What is the InChIKey of (3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene?
The InChIKey is BOFKOHWOZMEGKL-UWSHVOAXSA-N. The full InChI is InChI=1S/C47H58N3PSi/c1-32(2)41-25-18-26-42(33(3)4)44(41)50-43-38-27-28-39(31-38)45(43)51-46(36-19-12-9-13-20-36)47(37-21-14-10-15-22-37)52(50,40-23-16-11-17-24-40)49(35(7)8)30-29-48(51)34(5)6/h9-26,32-35,38-39H,27-31H2,1-8H3/t38-,39+,51?,52+/m0/s1.
What are the key properties of (3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene?
(3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene has a molecular weight of 724.06 g/mol, XLogP of 11.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene is sourced from PubChem (CID 139114707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).