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

C54H41NS — CID 168839548

IUPACN-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc21
InChIInChI=1S/C54H41NS/c1-53(2)48-15-9-6-12-42(48)46-31-36(22-30-49(46)53)34-17-23-38(24-18-34)55(40-27-29-43-41-11-5-8-14-47(41)54(3,4)50(43)33-40)39-25-19-35(20-26-39)37-21-28-45-44-13-7-10-16-51(44)56-52(45)32-37/h5-33H,1-4H3
InChIKeyMYAXJGCPENFDRG-UHFFFAOYSA-N
MW736.00 g/mol
LogP15.47
Rot. Bonds5

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

N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 168839548) has the molecular formula C54H41NS and a molecular weight of 736.00 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID168839548
Molecular FormulaC54H41NS
Molecular Weight736.00 g/mol
Exact Mass735.30
IUPAC NameN-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc21
InChIInChI=1S/C54H41NS/c1-53(2)48-15-9-6-12-42(48)46-31-36(22-30-49(46)53)34-17-23-38(24-18-34)55(40-27-29-43-41-11-5-8-14-47(41)54(3,4)50(43)33-40)39-25-19-35(20-26-39)37-21-28-45-44-13-7-10-16-51(44)56-52(45)32-37/h5-33H,1-4H3
InChIKeyMYAXJGCPENFDRG-UHFFFAOYSA-N
XLogP15.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.00
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 134464879
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzothiophen-3-amine
CID 142480678
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-4-phenylaniline
CID 122493609
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168840172
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 70808776
N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine
CID 168839628
17-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050121
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323779
N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 176781079
3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine (CID 168839548) is N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc21.
What is the InChIKey of N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is MYAXJGCPENFDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41NS/c1-53(2)48-15-9-6-12-42(48)46-31-36(22-30-49(46)53)34-17-23-38(24-18-34)55(40-27-29-43-41-11-5-8-14-47(41)54(3,4)50(43)33-40)39-25-19-35(20-26-39)37-21-28-45-44-13-7-10-16-51(44)56-52(45)32-37/h5-33H,1-4H3.
What are the key properties of N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 736.00 g/mol, XLogP of 15.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 168839548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).