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

C74H49NS — CID 121423581

IUPACN-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/C74H49NS/c1-5-24-53(25-6-1)73(54-26-7-2-8-27-54)66-38-17-14-34-64(66)71-67(73)39-21-40-69(71)75(57-44-42-50(43-45-57)51-22-19-23-52(48-51)59-35-20-36-63-62-33-15-18-41-70(62)76-72(59)63)58-46-47-61-60-32-13-16-37-65(60)74(68(61)49-58,55-28-9-3-10-29-55)56-30-11-4-12-31-56/h1-49H
InChIKeyVSRJDBXRNIJYSK-UHFFFAOYSA-N
MW984.28 g/mol
LogP19.58
Rot. Bonds9

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

N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine (PubChem CID 121423581) has the molecular formula C74H49NS and a molecular weight of 984.28 g/mol. Its IUPAC name is N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine
PubChem CID121423581
Molecular FormulaC74H49NS
Molecular Weight984.28 g/mol
Exact Mass983.36
IUPAC NameN-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/C74H49NS/c1-5-24-53(25-6-1)73(54-26-7-2-8-27-54)66-38-17-14-34-64(66)71-67(73)39-21-40-69(71)75(57-44-42-50(43-45-57)51-22-19-23-52(48-51)59-35-20-36-63-62-33-15-18-41-70(62)76-72(59)63)58-46-47-61-60-32-13-16-37-65(60)74(68(61)49-58,55-28-9-3-10-29-55)56-30-11-4-12-31-56/h1-49H
InChIKeyVSRJDBXRNIJYSK-UHFFFAOYSA-N
XLogP19.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.28
LogP ≤ 519.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424642
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423435
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121381523
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine
CID 121423516
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675334
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122675301
2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915366
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine (CID 121423581) is N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc32)cc1.
What is the InChIKey of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine?
The InChIKey is VSRJDBXRNIJYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H49NS/c1-5-24-53(25-6-1)73(54-26-7-2-8-27-54)66-38-17-14-34-64(66)71-67(73)39-21-40-69(71)75(57-44-42-50(43-45-57)51-22-19-23-52(48-51)59-35-20-36-63-62-33-15-18-41-70(62)76-72(59)63)58-46-47-61-60-32-13-16-37-65(60)74(68(61)49-58,55-28-9-3-10-29-55)56-30-11-4-12-31-56/h1-49H.
What are the key properties of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine?
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine has a molecular weight of 984.28 g/mol, XLogP of 19.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 121423581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).