N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine

C57H41NS — CID 168789139

IUPACN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cccc21
InChIInChI=1S/C57H41NS/c1-57(2)49-29-13-11-25-48(49)54-43(26-15-30-50(54)57)40-34-36-41(37-35-40)58(52-32-17-28-47-45-23-12-14-33-53(45)59-56(47)52)51-31-16-27-44(39-20-7-4-8-21-39)55(51)46-24-10-9-22-42(46)38-18-5-3-6-19-38/h3-37H,1-2H3
InChIKeyXLNNTMAWBXEYKQ-UHFFFAOYSA-N
MW772.03 g/mol
LogP16.50
Rot. Bonds7

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

N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 168789139) has the molecular formula C57H41NS and a molecular weight of 772.03 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID168789139
Molecular FormulaC57H41NS
Molecular Weight772.03 g/mol
Exact Mass771.30
IUPAC NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cccc21
InChIInChI=1S/C57H41NS/c1-57(2)49-29-13-11-25-48(49)54-43(26-15-30-50(54)57)40-34-36-41(37-35-40)58(52-32-17-28-47-45-23-12-14-33-53(45)59-56(47)52)51-31-16-27-44(39-20-7-4-8-21-39)55(51)46-24-10-9-22-42(46)38-18-5-3-6-19-38/h3-37H,1-2H3
InChIKeyXLNNTMAWBXEYKQ-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-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine with MolForge

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Related Compounds

N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790008
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790748
N-[4-(4-phenylphenyl)phenyl]-N-(6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-yl)dibenzothiophen-4-amine
CID 138455824
N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113932
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 172544925
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177114078
N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 163480005
N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170023651
N-(4-phenanthren-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789429
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine
CID 167218672

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 168789139) is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is XLNNTMAWBXEYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NS/c1-57(2)49-29-13-11-25-48(49)54-43(26-15-30-50(54)57)40-34-36-41(37-35-40)58(52-32-17-28-47-45-23-12-14-33-53(45)59-56(47)52)51-31-16-27-44(39-20-7-4-8-21-39)55(51)46-24-10-9-22-42(46)38-18-5-3-6-19-38/h3-37H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-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-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 168789139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).