4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine

C59H38N2O — CID 168775351

IUPAC4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c2c(N(c2ccccc2)c2ccccc2)cc2ccccc32)cc1
InChIInChI=1S/C59H38N2O/c1-4-20-40(21-5-1)60(41-22-6-2-7-23-41)53-37-39-19-10-11-26-44(39)56-46-28-12-15-30-49(46)59(58(53)56)50-31-16-13-29-47(50)57-51(59)32-18-33-52(57)61(42-24-8-3-9-25-42)43-35-36-55-48(38-43)45-27-14-17-34-54(45)62-55/h1-38H
InChIKeyMFFMDFBVKDPZSI-UHFFFAOYSA-N
MW790.97 g/mol
LogP16.02
Rot. Bonds6

About 4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine

4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine (PubChem CID 168775351) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is 4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine.

Molecular Properties

Compound Name4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
PubChem CID168775351
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC Name4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c2c(N(c2ccccc2)c2ccccc2)cc2ccccc32)cc1
InChIInChI=1S/C59H38N2O/c1-4-20-40(21-5-1)60(41-22-6-2-7-23-41)53-37-39-19-10-11-26-44(39)56-46-28-12-15-30-49(46)59(58(53)56)50-31-16-13-29-47(50)57-51(59)32-18-33-52(57)61(42-24-8-3-9-25-42)43-35-36-55-48(38-43)45-27-14-17-34-54(45)62-55/h1-38H
InChIKeyMFFMDFBVKDPZSI-UHFFFAOYSA-N
XLogP16.02
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775393
2-N'-dibenzofuran-2-yl-4-N-naphthalen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915341
N-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170272344
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine
CID 130263998
4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775249
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775466
N-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168774947
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170535376
6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775309
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 164990095

Frequently Asked Questions

What is the IUPAC name of 4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?
The IUPAC name of 4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine (CID 168775351) is 4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine.
What is the SMILES notation for 4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?
The canonical SMILES for 4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine is c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c2c(N(c2ccccc2)c2ccccc2)cc2ccccc32)cc1.
What is the InChIKey of 4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?
The InChIKey is MFFMDFBVKDPZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O/c1-4-20-40(21-5-1)60(41-22-6-2-7-23-41)53-37-39-19-10-11-26-44(39)56-46-28-12-15-30-49(46)59(58(53)56)50-31-16-13-29-47(50)57-51(59)32-18-33-52(57)61(42-24-8-3-9-25-42)43-35-36-55-48(38-43)45-27-14-17-34-54(45)62-55/h1-38H.
What are the key properties of 4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?
4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine has a molecular weight of 790.97 g/mol, XLogP of 16.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine is sourced from PubChem (CID 168775351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).