2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine

C59H38N2O — CID 168775393

IUPAC2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3ccccc3c3c2C2(c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc42)c2ccccc2-3)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)56-47-28-13-16-31-50(47)59(58(53)56)49-30-15-12-27-45(49)46-36-35-43(38-51(46)59)61(42-24-8-3-9-25-42)52-32-18-34-55-57(52)48-29-14-17-33-54(48)62-55/h1-38H
InChIKeyIREJKKDUQKZXAO-UHFFFAOYSA-N
MW790.97 g/mol
LogP16.02
Rot. Bonds6

About 2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine

2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine (PubChem CID 168775393) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is 2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine.

Molecular Properties

Compound Name2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
PubChem CID168775393
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC Name2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3ccccc3c3c2C2(c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc42)c2ccccc2-3)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)56-47-28-13-16-31-50(47)59(58(53)56)49-30-15-12-27-45(49)46-36-35-43(38-51(46)59)61(42-24-8-3-9-25-42)52-32-18-34-55-57(52)48-29-14-17-33-54(48)62-55/h1-38H
InChIKeyIREJKKDUQKZXAO-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

4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775351
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-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-1-amine
CID 168811960
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633873
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
2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775130
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine
CID 168775411
N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049
7-N',17-N'-di(dibenzofuran-1-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137492867

Frequently Asked Questions

What is the IUPAC name of 2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?
The IUPAC name of 2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine (CID 168775393) is 2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine.
What is the SMILES notation for 2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?
The canonical SMILES for 2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine is c1ccc(N(c2ccccc2)c2cc3ccccc3c3c2C2(c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc42)c2ccccc2-3)cc1.
What is the InChIKey of 2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?
The InChIKey is IREJKKDUQKZXAO-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)56-47-28-13-16-31-50(47)59(58(53)56)49-30-15-12-27-45(49)46-36-35-43(38-51(46)59)61(42-24-8-3-9-25-42)52-32-18-34-55-57(52)48-29-14-17-33-54(48)62-55/h1-38H.
What are the key properties of 2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?
2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',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 2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine is sourced from PubChem (CID 168775393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).