5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine

C59H38N2O — CID 168775418

IUPAC5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c2cc(N(c2ccccc2)c2ccc4c(c2)oc2ccccc24)c2ccccc32)cc1
InChIInChI=1S/C59H38N2O/c1-4-18-39(19-5-1)60(40-20-6-2-7-21-40)42-33-35-53-50(36-42)44-24-12-15-29-51(44)59(53)52-30-16-13-28-49(52)58-48-27-11-10-25-45(48)55(38-54(58)59)61(41-22-8-3-9-23-41)43-32-34-47-46-26-14-17-31-56(46)62-57(47)37-43/h1-38H
InChIKeyKDNGHIZXUVMGSQ-UHFFFAOYSA-N
MW790.97 g/mol
LogP16.02
Rot. Bonds6

About 5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine

5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine (PubChem CID 168775418) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is 5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine.

Molecular Properties

Compound Name5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
PubChem CID168775418
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC Name5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c2cc(N(c2ccccc2)c2ccc4c(c2)oc2ccccc24)c2ccccc32)cc1
InChIInChI=1S/C59H38N2O/c1-4-18-39(19-5-1)60(40-20-6-2-7-21-40)42-33-35-53-50(36-42)44-24-12-15-29-51(44)59(53)52-30-16-13-28-49(52)58-48-27-11-10-25-45(48)55(38-54(58)59)61(41-22-8-3-9-23-41)43-32-34-47-46-26-14-17-31-56(46)62-57(47)37-43/h1-38H
InChIKeyKDNGHIZXUVMGSQ-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

3-N'-dibenzofuran-3-yl-3-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775076
3-N',5-N,5-N-triphenyl-3-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775104
3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775134
3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775207
5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274
3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775239
4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667387
2-N',5-N,5-N-triphenyl-2-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775192
N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine
CID 140919850
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
N-dibenzofuran-3-yl-N-(2-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463123
N-dibenzofuran-3-yl-N-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]-4-amine
CID 162771468

Frequently Asked Questions

What is the IUPAC name of 5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
The IUPAC name of 5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine (CID 168775418) is 5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine.
What is the SMILES notation for 5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
The canonical SMILES for 5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c2cc(N(c2ccccc2)c2ccc4c(c2)oc2ccccc24)c2ccccc32)cc1.
What is the InChIKey of 5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
The InChIKey is KDNGHIZXUVMGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O/c1-4-18-39(19-5-1)60(40-20-6-2-7-21-40)42-33-35-53-50(36-42)44-24-12-15-29-51(44)59(53)52-30-16-13-28-49(52)58-48-27-11-10-25-45(48)55(38-54(58)59)61(41-22-8-3-9-23-41)43-32-34-47-46-26-14-17-31-56(46)62-57(47)37-43/h1-38H.
What are the key properties of 5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-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 5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine is sourced from PubChem (CID 168775418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).