5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine

C66H55N3SSi2 — CID 149064679

IUPAC5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine
SMILESC[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc5ccccc5cc4Sc4cc5cccnc5cc42)c2cc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)c4ccccc4c2-3)cc1
InChIInChI=1S/C66H55N3SSi2/c1-71(2,3)52-32-27-49(28-33-52)68(47-21-9-7-10-22-47)51-31-36-56-57(41-51)66(58-38-44-18-13-14-19-45(44)39-63(58)70-64-40-46-20-17-37-67-61(46)42-59(64)66)60-43-62(54-25-15-16-26-55(54)65(56)60)69(48-23-11-8-12-24-48)50-29-34-53(35-30-50)72(4,5)6/h7-43H,1-6H3
InChIKeyQMNJSPLXUAPRSE-UHFFFAOYSA-N
MW978.43 g/mol
LogP17.40
Rot. Bonds8

About 5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine

5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine (PubChem CID 149064679) has the molecular formula C66H55N3SSi2 and a molecular weight of 978.43 g/mol. Its IUPAC name is 5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine.

Molecular Properties

Compound Name5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine
PubChem CID149064679
Molecular FormulaC66H55N3SSi2
Molecular Weight978.43 g/mol
Exact Mass977.37
IUPAC Name5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine
SMILESC[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc5ccccc5cc4Sc4cc5cccnc5cc42)c2cc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)c4ccccc4c2-3)cc1
InChIInChI=1S/C66H55N3SSi2/c1-71(2,3)52-32-27-49(28-33-52)68(47-21-9-7-10-22-47)51-31-36-56-57(41-51)66(58-38-44-18-13-14-19-45(44)39-63(58)70-64-40-46-20-17-37-67-61(46)42-59(64)66)60-43-62(54-25-15-16-26-55(54)65(56)60)69(48-23-11-8-12-24-48)50-29-34-53(35-30-50)72(4,5)6/h7-43H,1-6H3
InChIKeyQMNJSPLXUAPRSE-UHFFFAOYSA-N
XLogP17.40
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.43
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine with MolForge

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Related Compounds

7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine
CID 140717796
7-phenyl-7-[7-phenyl-5,9-bis(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine
CID 140862661
5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359
2-N',5-N,5-N-triphenyl-2-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775192
3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775207
6-N,12-N-bis(4-tert-butylphenyl)-9,9-diphenyl-6-N,12-N-bis(4-trimethylsilylphenyl)-20-oxa-18-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-6,12-diamine
CID 140764978
14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 123316620
9-[4-(4-tert-butyl-N-naphthalen-2-ylanilino)phenyl]-N-(4-tert-butylphenyl)-N-naphthalen-2-ylspiro[benzo[c]fluorene-7,9'-thioxanthene]-5-amine
CID 118521053
4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine
CID 168775420
2-N,7-N-dinaphthalen-2-yl-9,9-diphenyl-2-N,7-N-bis(4-trimethylsilylphenyl)fluorene-2,7-diamine
CID 123150757
9-N',17-N'-diphenyl-9-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
CID 137492787

Frequently Asked Questions

What is the IUPAC name of 5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine?
The IUPAC name of 5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine (CID 149064679) is 5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine.
What is the SMILES notation for 5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine?
The canonical SMILES for 5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc5ccccc5cc4Sc4cc5cccnc5cc42)c2cc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)c4ccccc4c2-3)cc1.
What is the InChIKey of 5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine?
The InChIKey is QMNJSPLXUAPRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H55N3SSi2/c1-71(2,3)52-32-27-49(28-33-52)68(47-21-9-7-10-22-47)51-31-36-56-57(41-51)66(58-38-44-18-13-14-19-45(44)39-63(58)70-64-40-46-20-17-37-67-61(46)42-59(64)66)60-43-62(54-25-15-16-26-55(54)65(56)60)69(48-23-11-8-12-24-48)50-29-34-53(35-30-50)72(4,5)6/h7-43H,1-6H3.
What are the key properties of 5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine?
5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine has a molecular weight of 978.43 g/mol, XLogP of 17.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N',9-N'-diphenyl-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[2-thia-9-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-13,7'-benzo[c]fluorene]-5',9'-diamine is sourced from PubChem (CID 149064679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).