N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine

C63H43NO2 — CID 176763185

IUPACN-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cc(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)c4-c4ccccc4)c4cccc5oc6ccccc6c45)cc3)c21
InChIInChI=1S/C63H43NO2/c1-63(2)52-28-12-9-22-46(52)48-27-15-25-45(62(48)63)41-34-36-44(37-35-41)64(53-29-17-33-58-61(53)50-24-11-14-31-56(50)66-58)54-39-43(40-18-5-3-6-19-40)38-51(59(54)42-20-7-4-8-21-42)47-26-16-32-57-60(47)49-23-10-13-30-55(49)65-57/h3-39H,1-2H3
InChIKeyGXQBADBNCFQBIG-UHFFFAOYSA-N
MW846.04 g/mol
LogP17.93
Rot. Bonds7

About N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine

N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine (PubChem CID 176763185) has the molecular formula C63H43NO2 and a molecular weight of 846.04 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine
PubChem CID176763185
Molecular FormulaC63H43NO2
Molecular Weight846.04 g/mol
Exact Mass845.33
IUPAC NameN-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cc(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)c4-c4ccccc4)c4cccc5oc6ccccc6c45)cc3)c21
InChIInChI=1S/C63H43NO2/c1-63(2)52-28-12-9-22-46(52)48-27-15-25-45(62(48)63)41-34-36-44(37-35-41)64(53-29-17-33-58-61(53)50-24-11-14-31-56(50)66-58)54-39-43(40-18-5-3-6-19-40)38-51(59(54)42-20-7-4-8-21-42)47-26-16-32-57-60(47)49-23-10-13-30-55(49)65-57/h3-39H,1-2H3
InChIKeyGXQBADBNCFQBIG-UHFFFAOYSA-N
XLogP17.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.04
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine
CID 170666178
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790894
N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine
CID 176583411
N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 159530735
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
2,3,5,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)aniline
CID 171451744
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788461
N-[4-(9,9-dimethyl-1-phenylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 135271066
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324263
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 169223637

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine (CID 176763185) is N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cc(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)c4-c4ccccc4)c4cccc5oc6ccccc6c45)cc3)c21.
What is the InChIKey of N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is GXQBADBNCFQBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NO2/c1-63(2)52-28-12-9-22-46(52)48-27-15-25-45(62(48)63)41-34-36-44(37-35-41)64(53-29-17-33-58-61(53)50-24-11-14-31-56(50)66-58)54-39-43(40-18-5-3-6-19-40)38-51(59(54)42-20-7-4-8-21-42)47-26-16-32-57-60(47)49-23-10-13-30-55(49)65-57/h3-39H,1-2H3.
What are the key properties of N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine?
N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 846.04 g/mol, XLogP of 17.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176763185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).