N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine

C65H41NO — CID 172544875

IUPACN-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccccc4)ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1
InChIInChI=1S/C65H41NO/c1-3-18-43(19-4-1)49-29-16-30-54-62-60(41-40-50(64(62)67-63(49)54)44-20-5-2-6-21-44)66(46-38-36-45(37-39-46)48-28-15-23-42-22-7-8-24-47(42)48)59-35-17-34-58-61(59)53-27-11-14-33-57(53)65(58)55-31-12-9-25-51(55)52-26-10-13-32-56(52)65/h1-41H
InChIKeyIETCKACJXHJTHR-UHFFFAOYSA-N
MW852.05 g/mol
LogP17.55
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine

N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine (PubChem CID 172544875) has the molecular formula C65H41NO and a molecular weight of 852.05 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
PubChem CID172544875
Molecular FormulaC65H41NO
Molecular Weight852.05 g/mol
Exact Mass851.32
IUPAC NameN-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccccc4)ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1
InChIInChI=1S/C65H41NO/c1-3-18-43(19-4-1)49-29-16-30-54-62-60(41-40-50(64(62)67-63(49)54)44-20-5-2-6-21-44)66(46-38-36-45(37-39-46)48-28-15-23-42-22-7-8-24-47(42)48)59-35-17-34-58-61(59)53-27-11-14-33-57(53)65(58)55-31-12-9-25-51(55)52-26-10-13-32-56(52)65/h1-41H
InChIKeyIETCKACJXHJTHR-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-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 172544730
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172544842
N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844263
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
9,9-dinaphthalen-1-yl-N,N-bis(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 169019816
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 170117389
N-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 139355095
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
8-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444448
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121766

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine (CID 172544875) is N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine is c1ccc(-c2cccc3c2oc2c(-c4ccccc4)ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
The InChIKey is IETCKACJXHJTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41NO/c1-3-18-43(19-4-1)49-29-16-30-54-62-60(41-40-50(64(62)67-63(49)54)44-20-5-2-6-21-44)66(46-38-36-45(37-39-46)48-28-15-23-42-22-7-8-24-47(42)48)59-35-17-34-58-61(59)53-27-11-14-33-57(53)65(58)55-31-12-9-25-51(55)52-26-10-13-32-56(52)65/h1-41H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-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-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine is sourced from PubChem (CID 172544875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).