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

C61H39NO2 — CID 121424209

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cccc32)cc1
InChIInChI=1S/C61H39NO2/c1-3-18-42(19-4-1)61(43-20-5-2-6-21-43)53-30-10-7-25-52(53)58-54(61)31-16-32-55(58)62(44-37-35-40(36-38-44)46-26-14-28-50-48-23-8-11-33-56(48)63-59(46)50)45-22-13-17-41(39-45)47-27-15-29-51-49-24-9-12-34-57(49)64-60(47)51/h1-39H
InChIKeyDFIZWZKYOAXIRM-UHFFFAOYSA-N
MW817.99 g/mol
LogP16.65
Rot. Bonds7

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

N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 121424209) has the molecular formula C61H39NO2 and a molecular weight of 817.99 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID121424209
Molecular FormulaC61H39NO2
Molecular Weight817.99 g/mol
Exact Mass817.30
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cccc32)cc1
InChIInChI=1S/C61H39NO2/c1-3-18-42(19-4-1)61(43-20-5-2-6-21-43)53-30-10-7-25-52(53)58-54(61)31-16-32-55(58)62(44-37-35-40(36-38-44)46-26-14-28-50-48-23-8-11-33-56(48)63-59(46)50)45-22-13-17-41(39-45)47-27-15-29-51-49-24-9-12-34-57(49)64-60(47)51/h1-39H
InChIKeyDFIZWZKYOAXIRM-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-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 135193296
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424208
N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
CID 164972233
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424255
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-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164769069
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 146251209
N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769011
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 146251247
N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839801

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 121424209) is N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cccc32)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is DFIZWZKYOAXIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO2/c1-3-18-42(19-4-1)61(43-20-5-2-6-21-43)53-30-10-7-25-52(53)58-54(61)31-16-32-55(58)62(44-37-35-40(36-38-44)46-26-14-28-50-48-23-8-11-33-56(48)63-59(46)50)45-22-13-17-41(39-45)47-27-15-29-51-49-24-9-12-34-57(49)64-60(47)51/h1-39H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-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-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 121424209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).