7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine

C60H48N2Si2 — CID 146775292

IUPAC7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
SMILESC[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3cc(N(c5ccccc5)c5cccc([SiH3])c5)ccc3cc2-4)c1
InChIInChI=1S/C60H48N2Si2/c1-64(2,3)51-23-15-21-47(39-51)62(45-18-8-5-9-19-45)49-31-29-41-35-55-54-34-40-28-30-48(61(44-16-6-4-7-17-44)46-20-14-22-50(63)38-46)32-42(40)36-58(54)60(59(55)37-43(41)33-49)56-26-12-10-24-52(56)53-25-11-13-27-57(53)60/h4-39H,1-3,63H3
InChIKeyRSPJLVRJVXOQPY-UHFFFAOYSA-N
MW853.23 g/mol
LogP13.81
Rot. Bonds7

About 7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine

7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine (PubChem CID 146775292) has the molecular formula C60H48N2Si2 and a molecular weight of 853.23 g/mol. Its IUPAC name is 7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine.

Molecular Properties

Compound Name7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
PubChem CID146775292
Molecular FormulaC60H48N2Si2
Molecular Weight853.23 g/mol
Exact Mass852.34
IUPAC Name7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
SMILESC[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3cc(N(c5ccccc5)c5cccc([SiH3])c5)ccc3cc2-4)c1
InChIInChI=1S/C60H48N2Si2/c1-64(2,3)51-23-15-21-47(39-51)62(45-18-8-5-9-19-45)49-31-29-41-35-55-54-34-40-28-30-48(61(44-16-6-4-7-17-44)46-20-14-22-50(63)38-46)32-42(40)36-58(54)60(59(55)37-43(41)33-49)56-26-12-10-24-52(56)53-25-11-13-27-57(53)60/h4-39H,1-3,63H3
InChIKeyRSPJLVRJVXOQPY-UHFFFAOYSA-N
XLogP13.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.23
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?
The IUPAC name of 7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine (CID 146775292) is 7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine.
What is the SMILES notation for 7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?
The canonical SMILES for 7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine is C[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3cc(N(c5ccccc5)c5cccc([SiH3])c5)ccc3cc2-4)c1.
What is the InChIKey of 7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?
The InChIKey is RSPJLVRJVXOQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2Si2/c1-64(2,3)51-23-15-21-47(39-51)62(45-18-8-5-9-19-45)49-31-29-41-35-55-54-34-40-28-30-48(61(44-16-6-4-7-17-44)46-20-14-22-50(63)38-46)32-42(40)36-58(54)60(59(55)37-43(41)33-49)56-26-12-10-24-52(56)53-25-11-13-27-57(53)60/h4-39H,1-3,63H3.
What are the key properties of 7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?
7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine has a molecular weight of 853.23 g/mol, XLogP of 13.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N',17-N'-diphenyl-7-N'-(3-silylphenyl)-17-N'-(3-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine is sourced from PubChem (CID 146775292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).