N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine

C65H41NO — CID 172544842

IUPACN-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)c3cccc4c3oc3ccccc34)cccc21
InChIInChI=1S/C65H41NO/c1-2-16-49-46(14-1)15-11-21-50(49)47-36-34-44(35-37-47)42-30-32-43(33-31-42)45-38-40-48(41-39-45)66(61-28-12-22-54-53-19-6-10-29-62(53)67-64(54)61)60-27-13-26-59-63(60)55-20-5-9-25-58(55)65(59)56-23-7-3-17-51(56)52-18-4-8-24-57(52)65/h1-41H
InChIKeyRQBOSSSVPRFHCB-UHFFFAOYSA-N
MW852.05 g/mol
LogP17.55
Rot. Bonds6

About N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine

N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine (PubChem CID 172544842) has the molecular formula C65H41NO and a molecular weight of 852.05 g/mol. Its IUPAC name is N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
PubChem CID172544842
Molecular FormulaC65H41NO
Molecular Weight852.05 g/mol
Exact Mass851.32
IUPAC NameN-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)c3cccc4c3oc3ccccc34)cccc21
InChIInChI=1S/C65H41NO/c1-2-16-49-46(14-1)15-11-21-50(49)47-36-34-44(35-37-47)42-30-32-43(33-31-42)45-38-40-48(41-39-45)66(61-28-12-22-54-53-19-6-10-29-62(53)67-64(54)61)60-27-13-26-59-63(60)55-20-5-9-25-58(55)65(59)56-23-7-3-17-51(56)52-18-4-8-24-57(52)65/h1-41H
InChIKeyRQBOSSSVPRFHCB-UHFFFAOYSA-N
XLogP17.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.05
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 177114196
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 174279720
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 121381379
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 170421362
N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267145
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788827
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142480974
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 172544730
9,9-dinaphthalen-1-yl-N,N-bis(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 169019816

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine?
The IUPAC name of N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine (CID 172544842) is N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)c3cccc4c3oc3ccccc34)cccc21.
What is the InChIKey of N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine?
The InChIKey is RQBOSSSVPRFHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41NO/c1-2-16-49-46(14-1)15-11-21-50(49)47-36-34-44(35-37-47)42-30-32-43(33-31-42)45-38-40-48(41-39-45)66(61-28-12-22-54-53-19-6-10-29-62(53)67-64(54)61)60-27-13-26-59-63(60)55-20-5-9-25-58(55)65(59)56-23-7-3-17-51(56)52-18-4-8-24-57(52)65/h1-41H.
What are the key properties of N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine?
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine has a molecular weight of 852.05 g/mol, XLogP of 17.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine is sourced from PubChem (CID 172544842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).