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

C67H43NS2 — CID 121424569

IUPACN-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cccc32)cc1
InChIInChI=1S/C67H43NS2/c1-3-20-49(21-4-1)67(50-22-5-2-6-23-50)59-30-10-7-27-57(59)65-60(67)31-16-32-61(65)68(52-24-14-18-46(42-52)47-37-40-64-58(43-47)55-26-9-11-33-62(55)69-64)51-38-35-44(36-39-51)45-17-13-19-48(41-45)53-28-15-29-56-54-25-8-12-34-63(54)70-66(53)56/h1-43H
InChIKeySOYCBXDVKGSJKW-UHFFFAOYSA-N
MW926.22 g/mol
LogP19.26
Rot. Bonds8

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

N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine (PubChem CID 121424569) has the molecular formula C67H43NS2 and a molecular weight of 926.22 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
PubChem CID121424569
Molecular FormulaC67H43NS2
Molecular Weight926.22 g/mol
Exact Mass925.28
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cccc32)cc1
InChIInChI=1S/C67H43NS2/c1-3-20-49(21-4-1)67(50-22-5-2-6-23-50)59-30-10-7-27-57(59)65-60(67)31-16-32-61(65)68(52-24-14-18-46(42-52)47-37-40-64-58(43-47)55-26-9-11-33-62(55)69-64)51-38-35-44(36-39-51)45-17-13-19-48(41-45)53-28-15-29-56-54-25-8-12-34-63(54)70-66(53)56/h1-43H
InChIKeySOYCBXDVKGSJKW-UHFFFAOYSA-N
XLogP19.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.22
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424642
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine
CID 121423581
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121381523
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 166663845
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-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424235
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-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423435

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine (CID 121424569) is N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cccc32)cc1.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?
The InChIKey is SOYCBXDVKGSJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NS2/c1-3-20-49(21-4-1)67(50-22-5-2-6-23-50)59-30-10-7-27-57(59)65-60(67)31-16-32-61(65)68(52-24-14-18-46(42-52)47-37-40-64-58(43-47)55-26-9-11-33-62(55)69-64)51-38-35-44(36-39-51)45-17-13-19-48(41-45)53-28-15-29-56-54-25-8-12-34-63(54)70-66(53)56/h1-43H.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine has a molecular weight of 926.22 g/mol, XLogP of 19.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 121424569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).