N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine

C68H43NS — CID 121381523

IUPACN-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(C2(c3ccc(N(c4cccc(-c5cccc6c5sc5ccccc56)c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C68H43NS/c1-2-20-45(21-3-1)67(57-31-10-4-23-50(57)51-24-5-11-32-58(51)67)46-39-41-47(42-40-46)69(48-22-16-19-44(43-48)49-29-17-30-55-54-27-9-15-38-64(54)70-66(49)55)63-37-18-36-62-65(63)56-28-8-14-35-61(56)68(62)59-33-12-6-25-52(59)53-26-7-13-34-60(53)68/h1-43H
InChIKeyKVEIJECDIXXKQQ-UHFFFAOYSA-N
MW906.17 g/mol
LogP17.90
Rot. Bonds6

About N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine

N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 121381523) has the molecular formula C68H43NS and a molecular weight of 906.17 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID121381523
Molecular FormulaC68H43NS
Molecular Weight906.17 g/mol
Exact Mass905.31
IUPAC NameN-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(C2(c3ccc(N(c4cccc(-c5cccc6c5sc5ccccc56)c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C68H43NS/c1-2-20-45(21-3-1)67(57-31-10-4-23-50(57)51-24-5-11-32-58(51)67)46-39-41-47(42-40-46)69(48-22-16-19-44(43-48)49-29-17-30-55-54-27-9-15-38-64(54)70-66(49)55)63-37-18-36-62-65(63)56-28-8-14-35-61(56)68(62)59-33-12-6-25-52(59)53-26-7-13-34-60(53)68/h1-43H
InChIKeyKVEIJECDIXXKQQ-UHFFFAOYSA-N
XLogP17.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.17
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423435
N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424642
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569
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-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240036
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424253
2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915366
N-(3-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 118405991
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424235

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 121381523) is N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine is c1ccc(C2(c3ccc(N(c4cccc(-c5cccc6c5sc5ccccc56)c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is KVEIJECDIXXKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NS/c1-2-20-45(21-3-1)67(57-31-10-4-23-50(57)51-24-5-11-32-58(51)67)46-39-41-47(42-40-46)69(48-22-16-19-44(43-48)49-29-17-30-55-54-27-9-15-38-64(54)70-66(49)55)63-37-18-36-62-65(63)56-28-8-14-35-61(56)68(62)59-33-12-6-25-52(59)53-26-7-13-34-60(53)68/h1-43H.
What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 906.17 g/mol, XLogP of 17.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 121381523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).