N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine

C65H41NO2 — CID 167330275

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cccc32)cc1
InChIInChI=1S/C65H41NO2/c1-3-18-45(19-4-1)65(46-20-5-2-6-21-46)55-27-12-9-25-53(55)63-56(65)28-16-30-58(63)66(47-37-33-42(34-38-47)44-36-39-51-50-24-11-14-31-59(50)67-61(51)41-44)57-29-13-10-23-49(57)52-26-15-32-60-62(52)54-40-35-43-17-7-8-22-48(43)64(54)68-60/h1-41H
InChIKeyQHCATAGDZUILHJ-UHFFFAOYSA-N
MW868.05 g/mol
LogP17.81
Rot. Bonds7

About N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine

N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 167330275) has the molecular formula C65H41NO2 and a molecular weight of 868.05 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID167330275
Molecular FormulaC65H41NO2
Molecular Weight868.05 g/mol
Exact Mass867.31
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cccc32)cc1
InChIInChI=1S/C65H41NO2/c1-3-18-45(19-4-1)65(46-20-5-2-6-21-46)55-27-12-9-25-53(55)63-56(65)28-16-30-58(63)66(47-37-33-42(34-38-47)44-36-39-51-50-24-11-14-31-59(50)67-61(51)41-44)57-29-13-10-23-49(57)52-26-15-32-60-62(52)54-40-35-43-17-7-8-22-48(43)64(54)68-60/h1-41H
InChIKeyQHCATAGDZUILHJ-UHFFFAOYSA-N
XLogP17.81
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.05
LogP ≤ 517.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 157466477
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 166939322
N-(4-dibenzofuran-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 166939309
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine
CID 166565972
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121797
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 172544755
N-(2-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 157325152
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167329607
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 146251247
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
N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
CID 135229888
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 146251209

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 167330275) is N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is QHCATAGDZUILHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41NO2/c1-3-18-45(19-4-1)65(46-20-5-2-6-21-46)55-27-12-9-25-53(55)63-56(65)28-16-30-58(63)66(47-37-33-42(34-38-47)44-36-39-51-50-24-11-14-31-59(50)67-61(51)41-44)57-29-13-10-23-49(57)52-26-15-32-60-62(52)54-40-35-43-17-7-8-22-48(43)64(54)68-60/h1-41H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine has a molecular weight of 868.05 g/mol, XLogP of 17.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 167330275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).