N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine

C52H39NSi — CID 140962255

IUPACN-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine
SMILESC[Si](C)(C)c1cccc(N(c2ccccc2)c2cc3c(c4ccccc24)C2(c4ccccc4-c4ccccc42)c2c-3c3ccccc3c3ccccc23)c1
InChIInChI=1S/C52H39NSi/c1-54(2,3)36-21-17-20-35(32-36)53(34-18-5-4-6-19-34)48-33-45-49-42-27-10-7-22-37(42)38-23-8-11-28-43(38)51(49)52(50(45)44-29-12-9-26-41(44)48)46-30-15-13-24-39(46)40-25-14-16-31-47(40)52/h4-33H,1-3H3
InChIKeyQMVYQJMUFKTCDB-UHFFFAOYSA-N
MW705.98 g/mol
LogP13.50
Rot. Bonds4

About N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine

N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine (PubChem CID 140962255) has the molecular formula C52H39NSi and a molecular weight of 705.98 g/mol. Its IUPAC name is N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine.

Molecular Properties

Compound NameN-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine
PubChem CID140962255
Molecular FormulaC52H39NSi
Molecular Weight705.98 g/mol
Exact Mass705.29
IUPAC NameN-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine
SMILESC[Si](C)(C)c1cccc(N(c2ccccc2)c2cc3c(c4ccccc24)C2(c4ccccc4-c4ccccc42)c2c-3c3ccccc3c3ccccc23)c1
InChIInChI=1S/C52H39NSi/c1-54(2,3)36-21-17-20-35(32-36)53(34-18-5-4-6-19-34)48-33-45-49-42-27-10-7-22-37(42)38-23-8-11-28-43(38)51(49)52(50(45)44-29-12-9-26-41(44)48)46-30-15-13-24-39(46)40-25-14-16-31-47(40)52/h4-33H,1-3H3
InChIKeyQMVYQJMUFKTCDB-UHFFFAOYSA-N
XLogP13.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.98
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine with MolForge

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Related Compounds

N-(3-methylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine
CID 137494910
5-N',5-N',17-N',17-N'-tetraphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine
CID 137493642
N-(3,4-dimethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine
CID 137494894
5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine
CID 140961980
N-phenyl-N-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine
CID 140962640
N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine
CID 137493568
5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine
CID 174249767
5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine
CID 137492817
N-(2-methylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine
CID 137494879
5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine
CID 168775186
4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine
CID 168775025
2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine
CID 160679461

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine?
The IUPAC name of N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine (CID 140962255) is N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine.
What is the SMILES notation for N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine?
The canonical SMILES for N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine is C[Si](C)(C)c1cccc(N(c2ccccc2)c2cc3c(c4ccccc24)C2(c4ccccc4-c4ccccc42)c2c-3c3ccccc3c3ccccc23)c1.
What is the InChIKey of N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine?
The InChIKey is QMVYQJMUFKTCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NSi/c1-54(2,3)36-21-17-20-35(32-36)53(34-18-5-4-6-19-34)48-33-45-49-42-27-10-7-22-37(42)38-23-8-11-28-43(38)51(49)52(50(45)44-29-12-9-26-41(44)48)46-30-15-13-24-39(46)40-25-14-16-31-47(40)52/h4-33H,1-3H3.
What are the key properties of N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine?
N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine has a molecular weight of 705.98 g/mol, XLogP of 13.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine is sourced from PubChem (CID 140962255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).