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

C165H105N3O3S3 — CID 160753987

IUPACN-(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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc5sc6ccccc6c5c4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc5sc6ccccc6c5c4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc5sc6ccccc6c5c4)cccc32)cc1
InChIInChI=1S/3C55H35NOS/c1-3-15-37(16-4-1)55(38-17-5-2-6-18-38)46-23-10-7-20-43(46)54-47(55)24-14-25-48(54)56(40-33-34-52-45(35-40)42-19-9-12-28-51(42)58-52)39-31-29-36(30-32-39)41-22-13-27-50-53(41)44-21-8-11-26-49(44)57-50;1-3-14-38(15-4-1)55(39-16-5-2-6-17-39)47-21-10-7-20-45(47)54-48(55)22-13-23-49(54)56(41-31-33-53-46(35-41)44-19-9-12-25-52(44)58-53)40-29-26-36(27-30-40)37-28-32-43-42-18-8-11-24-50(42)57-51(43)34-37;1-3-14-38(15-4-1)55(39-16-5-2-6-17-39)47-21-10-7-20-44(47)54-48(55)22-13-23-49(54)56(41-31-33-53-46(35-41)43-19-9-12-25-52(43)58-53)40-29-26-36(27-30-40)37-28-32-51-45(34-37)42-18-8-11-24-50(42)57-51/h3*1-35H
InChIKeyRXELJRBWDCFQGD-UHFFFAOYSA-N
MW2273.87 g/mol
LogP46.36
Rot. Bonds18

About 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

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 (PubChem CID 160753987) has the molecular formula C165H105N3O3S3 and a molecular weight of 2273.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID160753987
Molecular FormulaC165H105N3O3S3
Molecular Weight2273.87 g/mol
Exact Mass2271.73
IUPAC NameN-(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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc5sc6ccccc6c5c4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc5sc6ccccc6c5c4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc5sc6ccccc6c5c4)cccc32)cc1
InChIInChI=1S/3C55H35NOS/c1-3-15-37(16-4-1)55(38-17-5-2-6-18-38)46-23-10-7-20-43(46)54-47(55)24-14-25-48(54)56(40-33-34-52-45(35-40)42-19-9-12-28-51(42)58-52)39-31-29-36(30-32-39)41-22-13-27-50-53(41)44-21-8-11-26-49(44)57-50;1-3-14-38(15-4-1)55(39-16-5-2-6-17-39)47-21-10-7-20-45(47)54-48(55)22-13-23-49(54)56(41-31-33-53-46(35-41)44-19-9-12-25-52(44)58-53)40-29-26-36(27-30-40)37-28-32-43-42-18-8-11-24-50(42)57-51(43)34-37;1-3-14-38(15-4-1)55(39-16-5-2-6-17-39)47-21-10-7-20-44(47)54-48(55)22-13-23-49(54)56(41-31-33-53-46(35-41)43-19-9-12-25-52(43)58-53)40-29-26-36(27-30-40)37-28-32-51-45(34-37)42-18-8-11-24-50(42)57-51/h3*1-35H
InChIKeyRXELJRBWDCFQGD-UHFFFAOYSA-N
XLogP46.36
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms174
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002273.87
LogP ≤ 546.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424451
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424485
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-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424214
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424235
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
4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 158402025
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-2-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-2-amine
CID 159461162
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424368
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc5sc6ccccc6c5c4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc5sc6ccccc6c5c4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc5sc6ccccc6c5c4)cccc32)cc1.
What is the InChIKey of 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?
The InChIKey is RXELJRBWDCFQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C55H35NOS/c1-3-15-37(16-4-1)55(38-17-5-2-6-18-38)46-23-10-7-20-43(46)54-47(55)24-14-25-48(54)56(40-33-34-52-45(35-40)42-19-9-12-28-51(42)58-52)39-31-29-36(30-32-39)41-22-13-27-50-53(41)44-21-8-11-26-49(44)57-50;1-3-14-38(15-4-1)55(39-16-5-2-6-17-39)47-21-10-7-20-45(47)54-48(55)22-13-23-49(54)56(41-31-33-53-46(35-41)44-19-9-12-25-52(44)58-53)40-29-26-36(27-30-40)37-28-32-43-42-18-8-11-24-50(42)57-51(43)34-37;1-3-14-38(15-4-1)55(39-16-5-2-6-17-39)47-21-10-7-20-44(47)54-48(55)22-13-23-49(54)56(41-31-33-53-46(35-41)43-19-9-12-25-52(43)58-53)40-29-26-36(27-30-40)37-28-32-51-45(34-37)42-18-8-11-24-50(42)57-51/h3*1-35H.
What are the key properties of 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?
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 has a molecular weight of 2273.87 g/mol, XLogP of 46.36, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160753987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).