N-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine

C55H41NS — CID 170302329

IUPACN-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3ccccc3-c3cccc4c3C(c3ccccc3)CC=C4)cccc21
InChIInChI=1S/C55H41NS/c1-55(2)46-26-9-6-21-44(46)54-47(55)27-15-29-49(54)56(39-34-32-37(33-35-39)41-24-14-31-51-53(41)45-22-8-11-30-50(45)57-51)48-28-10-7-20-42(48)43-25-13-19-38-18-12-23-40(52(38)43)36-16-4-3-5-17-36/h3-22,24-35,40H,23H2,1-2H3
InChIKeyIVXNUSZSWRGGGD-UHFFFAOYSA-N
MW748.01 g/mol
LogP15.71
Rot. Bonds6

About N-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine

N-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine (PubChem CID 170302329) has the molecular formula C55H41NS and a molecular weight of 748.01 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine
PubChem CID170302329
Molecular FormulaC55H41NS
Molecular Weight748.01 g/mol
Exact Mass747.30
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3ccccc3-c3cccc4c3C(c3ccccc3)CC=C4)cccc21
InChIInChI=1S/C55H41NS/c1-55(2)46-26-9-6-21-44(46)54-47(55)27-15-29-49(54)56(39-34-32-37(33-35-39)41-24-14-31-51-53(41)45-22-8-11-30-50(45)57-51)48-28-10-7-20-42(48)43-25-13-19-38-18-12-23-40(52(38)43)36-16-4-3-5-17-36/h3-22,24-35,40H,23H2,1-2H3
InChIKeyIVXNUSZSWRGGGD-UHFFFAOYSA-N
XLogP15.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.01
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzothiophen-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-4-amine
CID 176583192
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 170044787
N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)fluoren-4-amine
CID 168807524
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)dibenzothiophen-3-amine
CID 170044876
N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 126538536
2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302138
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168839586
2-[2-(N-(4-dibenzothiophen-1-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167087126
N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929371
4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 118888356
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 158436441
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine (CID 170302329) is N-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3ccccc3-c3cccc4c3C(c3ccccc3)CC=C4)cccc21.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine?
The InChIKey is IVXNUSZSWRGGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41NS/c1-55(2)46-26-9-6-21-44(46)54-47(55)27-15-29-49(54)56(39-34-32-37(33-35-39)41-24-14-31-51-53(41)45-22-8-11-30-50(45)57-51)48-28-10-7-20-42(48)43-25-13-19-38-18-12-23-40(52(38)43)36-16-4-3-5-17-36/h3-22,24-35,40H,23H2,1-2H3.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine?
N-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine has a molecular weight of 748.01 g/mol, XLogP of 15.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 170302329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).