N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine

C61H39NO2 — CID 169302165

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2cccc3c2oc2cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc23)cc1
InChIInChI=1S/C61H39NO2/c1-4-17-40(18-5-1)46-25-14-28-51-49-38-37-45(39-57(49)64-60(46)51)62(44-35-33-41(34-36-44)47-26-15-27-50-48-23-11-13-32-56(48)63-59(47)50)55-31-16-30-54-58(55)52-24-10-12-29-53(52)61(54,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-39H
InChIKeyXVBVVRXGUVZSPG-UHFFFAOYSA-N
MW817.99 g/mol
LogP16.65
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine (PubChem CID 169302165) has the molecular formula C61H39NO2 and a molecular weight of 817.99 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
PubChem CID169302165
Molecular FormulaC61H39NO2
Molecular Weight817.99 g/mol
Exact Mass817.30
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2cccc3c2oc2cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc23)cc1
InChIInChI=1S/C61H39NO2/c1-4-17-40(18-5-1)46-25-14-28-51-49-38-37-45(39-57(49)64-60(46)51)62(44-35-33-41(34-36-44)47-26-15-27-50-48-23-11-13-32-56(48)63-59(47)50)55-31-16-30-54-58(55)52-24-10-12-29-53(52)61(54,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-39H
InChIKeyXVBVVRXGUVZSPG-UHFFFAOYSA-N
XLogP16.65
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.99
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 177121793
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168804523
N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769011
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 146251209
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 146251247
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164769069
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-18-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050055
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424505
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424208

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine (CID 169302165) is N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine is c1ccc(-c2cccc3c2oc2cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine?
The InChIKey is XVBVVRXGUVZSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO2/c1-4-17-40(18-5-1)46-25-14-28-51-49-38-37-45(39-57(49)64-60(46)51)62(44-35-33-41(34-36-44)47-26-15-27-50-48-23-11-13-32-56(48)63-59(47)50)55-31-16-30-54-58(55)52-24-10-12-29-53(52)61(54,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-39H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine has a molecular weight of 817.99 g/mol, XLogP of 16.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine is sourced from PubChem (CID 169302165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).