N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine

C61H39NOS — CID 121424368

IUPACN-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cc4)c4cccc5c4sc4ccccc45)cccc32)cc1
InChIInChI=1S/C61H39NOS/c1-3-18-44(19-4-1)61(45-20-5-2-6-21-45)52-26-10-7-24-50(52)59-53(61)27-15-28-54(59)62(55-29-14-25-49-48-23-9-12-31-58(48)64-60(49)55)46-35-32-40(33-36-46)41-16-13-17-42(38-41)43-34-37-57-51(39-43)47-22-8-11-30-56(47)63-57/h1-39H
InChIKeyPCSGZLSHPLPONL-UHFFFAOYSA-N
MW834.06 g/mol
LogP17.12
Rot. Bonds7

About N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine

N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine (PubChem CID 121424368) has the molecular formula C61H39NOS and a molecular weight of 834.06 g/mol. Its IUPAC name is N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
PubChem CID121424368
Molecular FormulaC61H39NOS
Molecular Weight834.06 g/mol
Exact Mass833.28
IUPAC NameN-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cc4)c4cccc5c4sc4ccccc45)cccc32)cc1
InChIInChI=1S/C61H39NOS/c1-3-18-44(19-4-1)61(45-20-5-2-6-21-45)52-26-10-7-24-50(52)59-53(61)27-15-28-54(59)62(55-29-14-25-49-48-23-9-12-31-58(48)64-60(49)55)46-35-32-40(33-36-46)41-16-13-17-42(38-41)43-34-37-57-51(39-43)47-22-8-11-30-56(47)63-57/h1-39H
InChIKeyPCSGZLSHPLPONL-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

Analyze N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424235
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424485
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-4-amine
CID 121424914
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424347
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine
CID 121423516
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424451
N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424642
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine;N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine;N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 159716995
N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine
CID 176759746
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-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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine?
The IUPAC name of N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine (CID 121424368) is N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine.
What is the SMILES notation for N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine?
The canonical SMILES for N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cc4)c4cccc5c4sc4ccccc45)cccc32)cc1.
What is the InChIKey of N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine?
The InChIKey is PCSGZLSHPLPONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NOS/c1-3-18-44(19-4-1)61(45-20-5-2-6-21-45)52-26-10-7-24-50(52)59-53(61)27-15-28-54(59)62(55-29-14-25-49-48-23-9-12-31-58(48)64-60(49)55)46-35-32-40(33-36-46)41-16-13-17-42(38-41)43-34-37-57-51(39-43)47-22-8-11-30-56(47)63-57/h1-39H.
What are the key properties of N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine?
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-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-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine is sourced from PubChem (CID 121424368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).