N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine

C57H37NO — CID 134551292

IUPACN-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc4c3-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C57H37NO/c1-3-16-38(17-4-1)39-30-34-42(35-31-39)58(43-36-32-41(33-37-43)45-21-8-7-20-44(45)40-18-5-2-6-19-40)52-28-15-27-51-55(52)54-48-24-11-14-29-53(48)59-56(54)57(51)49-25-12-9-22-46(49)47-23-10-13-26-50(47)57/h1-37H
InChIKeyCYDGONVCXYBEJV-UHFFFAOYSA-N
MW751.93 g/mol
LogP15.25
Rot. Bonds6

About N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine

N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine (PubChem CID 134551292) has the molecular formula C57H37NO and a molecular weight of 751.93 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine
PubChem CID134551292
Molecular FormulaC57H37NO
Molecular Weight751.93 g/mol
Exact Mass751.29
IUPAC NameN-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc4c3-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C57H37NO/c1-3-16-38(17-4-1)39-30-34-42(35-31-39)58(43-36-32-41(33-37-43)45-21-8-7-20-44(45)40-18-5-2-6-19-40)52-28-15-27-51-55(52)54-48-24-11-14-29-53(48)59-56(54)57(51)49-25-12-9-22-46(49)47-23-10-13-26-50(47)57/h1-37H
InChIKeyCYDGONVCXYBEJV-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-(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
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-amine
CID 134551310
2-N-naphthalen-1-yl-2-N,8-N'-diphenyl-8-N'-(2-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;2-N-naphthalen-1-yl-2-N,8-N'-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;8-N'-naphthalen-1-yl-8-N'-phenyl-2-N,2-N-bis(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 161431533
4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 177130904
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-1-amine
CID 121391790
2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine
CID 134529977
N-(4-dibenzofuran-1-ylphenyl)-2'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258889
N-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
CID 139352149
2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 134529735
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176583278
N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
CID 134529774

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine (CID 134551292) is N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc4c3-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine?
The InChIKey is CYDGONVCXYBEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO/c1-3-16-38(17-4-1)39-30-34-42(35-31-39)58(43-36-32-41(33-37-43)45-21-8-7-20-44(45)40-18-5-2-6-19-40)52-28-15-27-51-55(52)54-48-24-11-14-29-53(48)59-56(54)57(51)49-25-12-9-22-46(49)47-23-10-13-26-50(47)57/h1-37H.
What are the key properties of N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine?
N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-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-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine is sourced from PubChem (CID 134551292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).