N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine

C65H43NS — CID 168771967

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C65H43NS/c1-5-19-46(20-6-1)54-40-41-61(64-62(54)58-30-17-29-55(63(58)67-64)47-21-7-2-8-22-47)66(52-36-34-45(35-37-52)49-33-32-44-18-13-14-23-48(44)42-49)53-38-39-57-56-28-15-16-31-59(56)65(60(57)43-53,50-24-9-3-10-25-50)51-26-11-4-12-27-51/h1-43H
InChIKeyXFBYXVAWYKJALX-UHFFFAOYSA-N
MW870.13 g/mol
LogP18.04
Rot. Bonds8

About N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine

N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine (PubChem CID 168771967) has the molecular formula C65H43NS and a molecular weight of 870.13 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine
PubChem CID168771967
Molecular FormulaC65H43NS
Molecular Weight870.13 g/mol
Exact Mass869.31
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C65H43NS/c1-5-19-46(20-6-1)54-40-41-61(64-62(54)58-30-17-29-55(63(58)67-64)47-21-7-2-8-22-47)66(52-36-34-45(35-37-52)49-33-32-44-18-13-14-23-48(44)42-49)53-38-39-57-56-28-15-16-31-59(56)65(60(57)43-53,50-24-9-3-10-25-50)51-26-11-4-12-27-51/h1-43H
InChIKeyXFBYXVAWYKJALX-UHFFFAOYSA-N
XLogP18.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.13
LogP ≤ 518.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine
CID 168847778
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847943
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 172544603
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059
N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159070500
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309
N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 168772166
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675334
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234612

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine (CID 168771967) is N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine?
The InChIKey is XFBYXVAWYKJALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NS/c1-5-19-46(20-6-1)54-40-41-61(64-62(54)58-30-17-29-55(63(58)67-64)47-21-7-2-8-22-47)66(52-36-34-45(35-37-52)49-33-32-44-18-13-14-23-48(44)42-49)53-38-39-57-56-28-15-16-31-59(56)65(60(57)43-53,50-24-9-3-10-25-50)51-26-11-4-12-27-51/h1-43H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine has a molecular weight of 870.13 g/mol, XLogP of 18.04, 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-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine is sourced from PubChem (CID 168771967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).