2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine

C61H43N4P — CID 58084568

IUPAC2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine
SMILES[H]/P=N\c1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3-2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C61H43N4P/c66-62-43-31-35-53-54-36-32-50(63(44-19-7-1-8-20-44)45-21-9-2-10-22-45)40-58(54)61(57(53)39-43)59-41-51(64(46-23-11-3-12-24-46)47-25-13-4-14-26-47)33-37-55(59)56-38-34-52(42-60(56)61)65(48-27-15-5-16-28-48)49-29-17-6-18-30-49/h1-42,66H
InChIKeyHBZVXUQZYGOCLC-UHFFFAOYSA-N
MW863.02 g/mol
LogP17.40
Rot. Bonds10

About 2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine

2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine (PubChem CID 58084568) has the molecular formula C61H43N4P and a molecular weight of 863.02 g/mol. Its IUPAC name is 2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine.

Molecular Properties

Compound Name2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine
PubChem CID58084568
Molecular FormulaC61H43N4P
Molecular Weight863.02 g/mol
Exact Mass862.32
IUPAC Name2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine
SMILES[H]/P=N\c1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3-2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C61H43N4P/c66-62-43-31-35-53-54-36-32-50(63(44-19-7-1-8-20-44)45-21-9-2-10-22-45)40-58(54)61(57(53)39-43)59-41-51(64(46-23-11-3-12-24-46)47-25-13-4-14-26-47)33-37-55(59)56-38-34-52(42-60(56)61)65(48-27-15-5-16-28-48)49-29-17-6-18-30-49/h1-42,66H
InChIKeyHBZVXUQZYGOCLC-UHFFFAOYSA-N
XLogP17.40
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.02
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine with MolForge

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Related Compounds

2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenylspiro[fluorene-9,9'-xanthene]-2,2',7,7'-tetramine
CID 132604176
N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
CID 146361908
N-phenyl-N-(4-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]-11'-amine
CID 155079035
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1'-phenyl-9,9'-spirobi[fluorene]
CID 160786762
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine?
The IUPAC name of 2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine (CID 58084568) is 2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine.
What is the SMILES notation for 2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine?
The canonical SMILES for 2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine is [H]/P=N\c1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3-2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine?
The InChIKey is HBZVXUQZYGOCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N4P/c66-62-43-31-35-53-54-36-32-50(63(44-19-7-1-8-20-44)45-21-9-2-10-22-45)40-58(54)61(57(53)39-43)59-41-51(64(46-23-11-3-12-24-46)47-25-13-4-14-26-47)33-37-55(59)56-38-34-52(42-60(56)61)65(48-27-15-5-16-28-48)49-29-17-6-18-30-49/h1-42,66H.
What are the key properties of 2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine?
2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine has a molecular weight of 863.02 g/mol, XLogP of 17.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-N',2-N',7-N',7-N'-hexakis-phenyl-7-(phosphanylideneamino)-9,9'-spirobi[fluorene]-2,2',7'-triamine is sourced from PubChem (CID 58084568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).