10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]

C61H38N2Si — CID 177278031

IUPAC10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)N(c2ccc3c(c2)[Si]2(c5ccccc5-c5ccccc52)c2ccccc2-3)c2ccccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C61H38N2Si/c1-2-18-39(19-3-1)62-53-29-13-6-22-43(53)48-37-52-56(38-55(48)62)63(54-30-14-12-28-51(54)61(52)49-26-10-4-20-41(49)42-21-5-11-27-50(42)61)40-34-35-47-46-25-9-17-33-59(46)64(60(47)36-40)57-31-15-7-23-44(57)45-24-8-16-32-58(45)64/h1-38H
InChIKeySLKSIGLORMXBCW-UHFFFAOYSA-N
MW827.08 g/mol
LogP12.27
Rot. Bonds2

About 10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]

10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] (PubChem CID 177278031) has the molecular formula C61H38N2Si and a molecular weight of 827.08 g/mol. Its IUPAC name is 10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene].

Molecular Properties

Compound Name10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
PubChem CID177278031
Molecular FormulaC61H38N2Si
Molecular Weight827.08 g/mol
Exact Mass826.28
IUPAC Name10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)N(c2ccc3c(c2)[Si]2(c5ccccc5-c5ccccc52)c2ccccc2-3)c2ccccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C61H38N2Si/c1-2-18-39(19-3-1)62-53-29-13-6-22-43(53)48-37-52-56(38-55(48)62)63(54-30-14-12-28-51(54)61(52)49-26-10-4-20-41(49)42-21-5-11-27-50(42)61)40-34-35-47-46-25-9-17-33-59(46)64(60(47)36-40)57-31-15-7-23-44(57)45-24-8-16-32-58(45)64/h1-38H
InChIKeySLKSIGLORMXBCW-UHFFFAOYSA-N
XLogP12.27
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.08
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] with MolForge

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Related Compounds

10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-thioxanthene]
CID 177278342
10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 177278321
14-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
CID 177277973
3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 122367921
2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene]
CID 177278308
5-[10-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline
CID 153440629
21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 177278238
10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene]
CID 177278234
7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene]
CID 177278340
14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]
CID 138577445
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-methylphenyl)carbazol-3-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylcarbazol-3-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 161485637

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]?
The IUPAC name of 10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] (CID 177278031) is 10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene].
What is the SMILES notation for 10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]?
The canonical SMILES for 10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] is c1ccc(-n2c3ccccc3c3cc4c(cc32)N(c2ccc3c(c2)[Si]2(c5ccccc5-c5ccccc52)c2ccccc2-3)c2ccccc2C42c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]?
The InChIKey is SLKSIGLORMXBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2Si/c1-2-18-39(19-3-1)62-53-29-13-6-22-43(53)48-37-52-56(38-55(48)62)63(54-30-14-12-28-51(54)61(52)49-26-10-4-20-41(49)42-21-5-11-27-50(42)61)40-34-35-47-46-25-9-17-33-59(46)64(60(47)36-40)57-31-15-7-23-44(57)45-24-8-16-32-58(45)64/h1-38H.
What are the key properties of 10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]?
10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] has a molecular weight of 827.08 g/mol, XLogP of 12.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] is sourced from PubChem (CID 177278031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).