N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine

C61H39NOS — CID 176759746

IUPACN-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2cccc(N(c4cccc5c4sc4ccccc45)c4cccc5oc6ccc(-c7ccccc7)cc6c45)c2)c2ccccc2-3)cc1
InChIInChI=1S/C61H39NOS/c1-4-17-40(18-5-1)42-34-36-56-51(37-42)59-54(29-16-31-57(59)63-56)62(55-30-15-27-50-49-26-11-13-32-58(49)64-60(50)55)46-24-14-23-45(39-46)61(44-21-8-3-9-22-44)52-28-12-10-25-47(52)48-35-33-43(38-53(48)61)41-19-6-2-7-20-41/h1-39H
InChIKeyCKAZYLQQVYRXLI-UHFFFAOYSA-N
MW834.06 g/mol
LogP17.12
Rot. Bonds7

About N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine

N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine (PubChem CID 176759746) has the molecular formula C61H39NOS and a molecular weight of 834.06 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine
PubChem CID176759746
Molecular FormulaC61H39NOS
Molecular Weight834.06 g/mol
Exact Mass833.28
IUPAC NameN-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2cccc(N(c4cccc5c4sc4ccccc45)c4cccc5oc6ccc(-c7ccccc7)cc6c45)c2)c2ccccc2-3)cc1
InChIInChI=1S/C61H39NOS/c1-4-17-40(18-5-1)42-34-36-56-51(37-42)59-54(29-16-31-57(59)63-56)62(55-30-15-27-50-49-26-11-13-32-58(49)64-60(50)55)46-24-14-23-45(39-46)61(44-21-8-3-9-22-44)52-28-12-10-25-47(52)48-35-33-43(38-53(48)61)41-19-6-2-7-20-41/h1-39H
InChIKeyCKAZYLQQVYRXLI-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-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-4-amine
CID 121424914
8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 170045111
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424368
8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759756
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-4-amine
CID 122675244
N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 163533094
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine
CID 121423516
8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 170235198
8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine (CID 176759746) is N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine is c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2cccc(N(c4cccc5c4sc4ccccc45)c4cccc5oc6ccc(-c7ccccc7)cc6c45)c2)c2ccccc2-3)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine?
The InChIKey is CKAZYLQQVYRXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NOS/c1-4-17-40(18-5-1)42-34-36-56-51(37-42)59-54(29-16-31-57(59)63-56)62(55-30-15-27-50-49-26-11-13-32-58(49)64-60(50)55)46-24-14-23-45(39-46)61(44-21-8-3-9-22-44)52-28-12-10-25-47(52)48-35-33-43(38-53(48)61)41-19-6-2-7-20-41/h1-39H.
What are the key properties of N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine?
N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-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-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine is sourced from PubChem (CID 176759746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).