N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine

C61H39NOS — CID 121424214

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)cc1
InChIInChI=1S/C61H39NOS/c1-3-15-43(16-4-1)61(44-17-5-2-6-18-44)53-24-10-7-21-51(53)59-54(61)25-14-26-55(59)62(45-34-29-40(30-35-45)42-33-38-58-52(39-42)49-20-9-12-28-57(49)64-58)46-36-31-41(32-37-46)47-22-13-23-50-48-19-8-11-27-56(48)63-60(47)50/h1-39H
InChIKeyKJCHKNDFFPRIAG-UHFFFAOYSA-N
MW834.06 g/mol
LogP17.12
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 121424214) has the molecular formula C61H39NOS and a molecular weight of 834.06 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID121424214
Molecular FormulaC61H39NOS
Molecular Weight834.06 g/mol
Exact Mass833.28
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)cc1
InChIInChI=1S/C61H39NOS/c1-3-15-43(16-4-1)61(44-17-5-2-6-18-44)53-24-10-7-21-51(53)59-54(61)25-14-26-55(59)62(45-34-29-40(30-35-45)42-33-38-58-52(39-42)49-20-9-12-28-57(49)64-58)46-36-31-41(32-37-46)47-22-13-23-50-48-19-8-11-27-56(48)63-60(47)50/h1-39H
InChIKeyKJCHKNDFFPRIAG-UHFFFAOYSA-N
XLogP17.12
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.06
LogP ≤ 517.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424208
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424505
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424479
N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 159643698
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424451
N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 160996301
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine
CID 138484712
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424347
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine
CID 160753987
N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424296
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168804523
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 121424214) is N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is KJCHKNDFFPRIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NOS/c1-3-15-43(16-4-1)61(44-17-5-2-6-18-44)53-24-10-7-21-51(53)59-54(61)25-14-26-55(59)62(45-34-29-40(30-35-45)42-33-38-58-52(39-42)49-20-9-12-28-57(49)64-58)46-36-31-41(32-37-46)47-22-13-23-50-48-19-8-11-27-56(48)63-60(47)50/h1-39H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine has a molecular weight of 834.06 g/mol, XLogP of 17.12, 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-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 121424214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).