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

C68H45NS — CID 121423516

IUPACN-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6c5sc5ccccc56)cc4)cc32)cc1
InChIInChI=1S/C68H45NS/c1-5-21-48(22-6-1)67(49-23-7-2-8-24-49)59-34-17-14-31-57(59)65-60(67)35-20-36-62(65)69(63-37-19-32-56-55-30-15-18-38-64(55)70-66(56)63)52-42-39-46(40-43-52)47-41-44-54-53-29-13-16-33-58(53)68(61(54)45-47,50-25-9-3-10-26-50)51-27-11-4-12-28-51/h1-45H
InChIKeyFMNQPGBYGZVMPY-UHFFFAOYSA-N
MW908.18 g/mol
LogP17.92
Rot. Bonds8

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

N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 121423516) has the molecular formula C68H45NS and a molecular weight of 908.18 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine
PubChem CID121423516
Molecular FormulaC68H45NS
Molecular Weight908.18 g/mol
Exact Mass907.33
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6c5sc5ccccc56)cc4)cc32)cc1
InChIInChI=1S/C68H45NS/c1-5-21-48(22-6-1)67(49-23-7-2-8-24-49)59-34-17-14-31-57(59)65-60(67)35-20-36-62(65)69(63-37-19-32-56-55-30-15-18-38-64(55)70-66(56)63)52-42-39-46(40-43-52)47-41-44-54-53-29-13-16-33-58(53)68(61(54)45-47,50-25-9-3-10-26-50)51-27-11-4-12-28-51/h1-45H
InChIKeyFMNQPGBYGZVMPY-UHFFFAOYSA-N
XLogP17.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.18
LogP ≤ 517.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine
CID 121423581
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
2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915366
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424368
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-4-amine
CID 122675244
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 140919484
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine
CID 177121684
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine (CID 121423516) is N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6c5sc5ccccc56)cc4)cc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is FMNQPGBYGZVMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NS/c1-5-21-48(22-6-1)67(49-23-7-2-8-24-49)59-34-17-14-31-57(59)65-60(67)35-20-36-62(65)69(63-37-19-32-56-55-30-15-18-38-64(55)70-66(56)63)52-42-39-46(40-43-52)47-41-44-54-53-29-13-16-33-58(53)68(61(54)45-47,50-25-9-3-10-26-50)51-27-11-4-12-28-51/h1-45H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine?
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 908.18 g/mol, XLogP of 17.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 121423516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).