N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine

C57H41NS — CID 154960895

IUPACN-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5c4sc4ccccc45)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21
InChIInChI=1S/C57H41NS/c1-57(2)53-26-13-11-22-48(53)49-33-32-44(37-54(49)57)58(45-35-41(38-16-5-3-6-17-38)34-42(36-45)39-18-7-4-8-19-39)43-30-28-40(29-31-43)46-20-9-10-21-47(46)51-24-15-25-52-50-23-12-14-27-55(50)59-56(51)52/h3-37H,1-2H3
InChIKeyMODDBMAOYJHFLM-UHFFFAOYSA-N
MW772.03 g/mol
LogP16.50
Rot. Bonds7

About N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine

N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 154960895) has the molecular formula C57H41NS and a molecular weight of 772.03 g/mol. Its IUPAC name is N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID154960895
Molecular FormulaC57H41NS
Molecular Weight772.03 g/mol
Exact Mass771.30
IUPAC NameN-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5c4sc4ccccc45)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21
InChIInChI=1S/C57H41NS/c1-57(2)53-26-13-11-22-48(53)49-33-32-44(37-54(49)57)58(45-35-41(38-16-5-3-6-17-38)34-42(36-45)39-18-7-4-8-19-39)43-30-28-40(29-31-43)46-20-9-10-21-47(46)51-24-15-25-52-50-23-12-14-27-55(50)59-56(51)52/h3-37H,1-2H3
InChIKeyMODDBMAOYJHFLM-UHFFFAOYSA-N
XLogP16.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.03
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
5-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 138519580
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919448
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964472
N-[4-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146647899
N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine
CID 70808691
1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697176
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 118405888

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine (CID 154960895) is N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5c4sc4ccccc45)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21.
What is the InChIKey of N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is MODDBMAOYJHFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NS/c1-57(2)53-26-13-11-22-48(53)49-33-32-44(37-54(49)57)58(45-35-41(38-16-5-3-6-17-38)34-42(36-45)39-18-7-4-8-19-39)43-30-28-40(29-31-43)46-20-9-10-21-47(46)51-24-15-25-52-50-23-12-14-27-55(50)59-56(51)52/h3-37H,1-2H3.
What are the key properties of N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine?
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 772.03 g/mol, XLogP of 16.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 154960895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).