N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine

C61H37NO — CID 130308817

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cccc21
InChIInChI=1S/C61H37NO/c1-2-17-44-42(15-1)43-16-3-4-18-45(43)52-37-40(35-36-46(44)52)62(39-33-31-38(32-34-39)41-23-13-24-50-49-21-8-12-30-58(49)63-60(41)50)57-29-14-28-56-59(57)51-22-7-11-27-55(51)61(56)53-25-9-5-19-47(53)48-20-6-10-26-54(48)61/h1-37H
InChIKeyAFSSAVVMDHCNMA-UHFFFAOYSA-N
MW799.97 g/mol
LogP16.53
Rot. Bonds4

About N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine

N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 130308817) has the molecular formula C61H37NO and a molecular weight of 799.97 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
PubChem CID130308817
Molecular FormulaC61H37NO
Molecular Weight799.97 g/mol
Exact Mass799.29
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cccc21
InChIInChI=1S/C61H37NO/c1-2-17-44-42(15-1)43-16-3-4-18-45(43)52-37-40(35-36-46(44)52)62(39-33-31-38(32-34-39)41-23-13-24-50-49-21-8-12-30-58(49)63-60(41)50)57-29-14-28-56-59(57)51-22-7-11-27-55(51)61(56)53-25-9-5-19-47(53)48-20-6-10-26-54(48)61/h1-37H
InChIKeyAFSSAVVMDHCNMA-UHFFFAOYSA-N
XLogP16.53
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.97
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142480974
N-(4-dibenzofuran-4-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476214
N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267145
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
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-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172544842
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
N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 142340770
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308754
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine (CID 130308817) is N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cccc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is AFSSAVVMDHCNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37NO/c1-2-17-44-42(15-1)43-16-3-4-18-45(43)52-37-40(35-36-46(44)52)62(39-33-31-38(32-34-39)41-23-13-24-50-49-21-8-12-30-58(49)63-60(41)50)57-29-14-28-56-59(57)51-22-7-11-27-55(51)61(56)53-25-9-5-19-47(53)48-20-6-10-26-54(48)61/h1-37H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 799.97 g/mol, XLogP of 16.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 130308817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).