N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine

C61H39NO — CID 121285759

IUPACN,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C61H39NO/c1-3-16-40(17-4-1)42-30-34-44(35-31-42)62(45-36-32-43(33-37-45)41-18-5-2-6-19-41)56-39-38-49(60-59(56)51-23-10-14-29-57(51)63-60)48-24-15-28-55-58(48)50-22-9-13-27-54(50)61(55)52-25-11-7-20-46(52)47-21-8-12-26-53(47)61/h1-39H
InChIKeyAIXQKABDAROIBG-UHFFFAOYSA-N
MW801.99 g/mol
LogP16.40
Rot. Bonds6

About N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine

N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine (PubChem CID 121285759) has the molecular formula C61H39NO and a molecular weight of 801.99 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
PubChem CID121285759
Molecular FormulaC61H39NO
Molecular Weight801.99 g/mol
Exact Mass801.30
IUPAC NameN,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C61H39NO/c1-3-16-40(17-4-1)42-30-34-44(35-31-42)62(45-36-32-43(33-37-45)41-18-5-2-6-19-41)56-39-38-49(60-59(56)51-23-10-14-29-57(51)63-60)48-24-15-28-55-58(48)50-22-9-13-27-54(50)61(55)52-25-11-7-20-46(52)47-21-8-12-26-53(47)61/h1-39H
InChIKeyAIXQKABDAROIBG-UHFFFAOYSA-N
XLogP16.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
CID 121285752
N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
CID 130325270
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
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 156524645
4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176824526
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)dibenzofuran-1-amine
CID 130264392
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176583278
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
CID 130325440
N-(4-dibenzofuran-1-ylphenyl)-2'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258889
N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139498916

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine (CID 121285759) is N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine?
The InChIKey is AIXQKABDAROIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO/c1-3-16-40(17-4-1)42-30-34-44(35-31-42)62(45-36-32-43(33-37-45)41-18-5-2-6-19-41)56-39-38-49(60-59(56)51-23-10-14-29-57(51)63-60)48-24-15-28-55-58(48)50-22-9-13-27-54(50)61(55)52-25-11-7-20-46(52)47-21-8-12-26-53(47)61/h1-39H.
What are the key properties of N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine?
N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine has a molecular weight of 801.99 g/mol, XLogP of 16.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine is sourced from PubChem (CID 121285759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).