N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine

C57H37NO — CID 134551177

IUPACN-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4oc5ccccc5c43)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C57H37NO/c1-4-16-38(17-5-1)40-28-31-43(32-29-40)58(53-35-30-42(39-18-6-2-7-19-39)36-49(53)41-20-8-3-9-21-41)44-33-34-46-45-22-10-13-25-50(45)57(52(46)37-44)51-26-14-11-23-47(51)56-55(57)48-24-12-15-27-54(48)59-56/h1-37H
InChIKeyYJXFPPGPKSYJHG-UHFFFAOYSA-N
MW751.93 g/mol
LogP15.25
Rot. Bonds6

About N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine

N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine (PubChem CID 134551177) has the molecular formula C57H37NO and a molecular weight of 751.93 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine
PubChem CID134551177
Molecular FormulaC57H37NO
Molecular Weight751.93 g/mol
Exact Mass751.29
IUPAC NameN-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4oc5ccccc5c43)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C57H37NO/c1-4-16-38(17-5-1)40-28-31-43(32-29-40)58(53-35-30-42(39-18-6-2-7-19-39)36-49(53)41-20-8-3-9-21-41)44-33-34-46-45-22-10-13-25-50(45)57(52(46)37-44)51-26-14-11-23-47(51)56-55(57)48-24-12-15-27-54(48)59-56/h1-37H
InChIKeyYJXFPPGPKSYJHG-UHFFFAOYSA-N
XLogP15.25
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.93
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine
CID 134551139
2-N'-naphthalen-2-yl-2-N,2-N-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,2'-diamine;2-N-naphthalen-2-yl-2-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4'-diamine;2-N,2-N,5-N,5-N-tetraphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,5-diamine;2-N',2-N',4-N-triphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2',4-diamine
CID 159110697
2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine
CID 134529625
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 156549318
3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenylspiro[benzo[a]fluorene-11,9'-fluorene]-3,9-diamine
CID 137492860
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481385
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 122675393
N-(2-phenylphenyl)-N-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'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-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'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-(4-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'-ylphenyl)dibenzofuran-3-amine
CID 157361279
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159111401

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine (CID 134551177) is N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4oc5ccccc5c43)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine?
The InChIKey is YJXFPPGPKSYJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO/c1-4-16-38(17-5-1)40-28-31-43(32-29-40)58(53-35-30-42(39-18-6-2-7-19-39)36-49(53)41-20-8-3-9-21-41)44-33-34-46-45-22-10-13-25-50(45)57(52(46)37-44)51-26-14-11-23-47(51)56-55(57)48-24-12-15-27-54(48)59-56/h1-37H.
What are the key properties of N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine?
N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine has a molecular weight of 751.93 g/mol, XLogP of 15.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine is sourced from PubChem (CID 134551177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).