N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine

C68H41N — CID 130309032

IUPACN-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c5ccccc5c5ccccc5c34)ccc21
InChIInChI=1S/C68H41N/c1-2-19-46-44(18-1)45-20-3-4-27-54(45)66-55(46)28-17-35-65(66)69(42-37-39-63-56(40-42)52-26-10-16-34-62(52)67(63)57-29-11-5-21-47(57)48-22-6-12-30-58(48)67)43-36-38-53-51-25-9-15-33-61(51)68(64(53)41-43)59-31-13-7-23-49(59)50-24-8-14-32-60(50)68/h1-41H
InChIKeyKHWZSNAFJSAVGL-UHFFFAOYSA-N
MW872.08 g/mol
LogP17.30
Rot. Bonds3

About N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine

N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 130309032) has the molecular formula C68H41N and a molecular weight of 872.08 g/mol. Its IUPAC name is N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
PubChem CID130309032
Molecular FormulaC68H41N
Molecular Weight872.08 g/mol
Exact Mass871.32
IUPAC NameN-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c5ccccc5c5ccccc5c34)ccc21
InChIInChI=1S/C68H41N/c1-2-19-46-44(18-1)45-20-3-4-27-54(45)66-55(46)28-17-35-65(66)69(42-37-39-63-56(40-42)52-26-10-16-34-62(52)67(63)57-29-11-5-21-47(57)48-22-6-12-30-58(48)67)43-36-38-53-51-25-9-15-33-61(51)68(64(53)41-43)59-31-13-7-23-49(59)50-24-8-14-32-60(50)68/h1-41H
InChIKeyKHWZSNAFJSAVGL-UHFFFAOYSA-N
XLogP17.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.08
LogP ≤ 517.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 134568058
N-(9,9'-spirobi[fluorene]-2-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-1-amine
CID 130309037
N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309031
N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 134568081
N-(4-trimethylsilylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 161396411
N-(4-trimethylsilylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 160575058
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
N-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309086
N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308589
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309054
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
3-N,11-N'-diphenyl-3-N,11-N'-bis(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-3,11'-diamine
CID 130264087

Frequently Asked Questions

What is the IUPAC name of N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine (CID 130309032) is N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c5ccccc5c5ccccc5c34)ccc21.
What is the InChIKey of N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is KHWZSNAFJSAVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41N/c1-2-19-46-44(18-1)45-20-3-4-27-54(45)66-55(46)28-17-35-65(66)69(42-37-39-63-56(40-42)52-26-10-16-34-62(52)67(63)57-29-11-5-21-47(57)48-22-6-12-30-58(48)67)43-36-38-53-51-25-9-15-33-61(51)68(64(53)41-43)59-31-13-7-23-49(59)50-24-8-14-32-60(50)68/h1-41H.
What are the key properties of N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 872.08 g/mol, XLogP of 17.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 130309032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).