N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine

C58H41NS — CID 171453391

IUPACN-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3cccc4c3-c3ccccc3C4(C)c3ccccc3)cc21
InChIInChI=1S/C58H41NS/c1-57(40-16-5-3-6-17-40)50-24-13-10-22-48(50)56-51(57)25-15-26-53(56)59(42-31-28-38(29-32-42)39-30-34-47-46-21-11-14-27-54(46)60-55(47)36-39)43-33-35-45-44-20-9-12-23-49(44)58(2,52(45)37-43)41-18-7-4-8-19-41/h3-37H,1-2H3
InChIKeySASPZILVZZGBKI-UHFFFAOYSA-N
MW784.04 g/mol
LogP15.86
Rot. Bonds6

About N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine

N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine (PubChem CID 171453391) has the molecular formula C58H41NS and a molecular weight of 784.04 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine
PubChem CID171453391
Molecular FormulaC58H41NS
Molecular Weight784.04 g/mol
Exact Mass783.30
IUPAC NameN-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3cccc4c3-c3ccccc3C4(C)c3ccccc3)cc21
InChIInChI=1S/C58H41NS/c1-57(40-16-5-3-6-17-40)50-24-13-10-22-48(50)56-51(57)25-15-26-53(56)59(42-31-28-38(29-32-42)39-30-34-47-46-21-11-14-27-54(46)60-55(47)36-39)43-33-35-45-44-20-9-12-23-49(44)58(2,52(45)37-43)41-18-7-4-8-19-41/h3-37H,1-2H3
InChIKeySASPZILVZZGBKI-UHFFFAOYSA-N
XLogP15.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.04
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
CID 168766955
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168840172
N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218536
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168790542
N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568036
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453500
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218562
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218561
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169065112
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453735

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine?
The IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine (CID 171453391) is N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3cccc4c3-c3ccccc3C4(C)c3ccccc3)cc21.
What is the InChIKey of N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine?
The InChIKey is SASPZILVZZGBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NS/c1-57(40-16-5-3-6-17-40)50-24-13-10-22-48(50)56-51(57)25-15-26-53(56)59(42-31-28-38(29-32-42)39-30-34-47-46-21-11-14-27-54(46)60-55(47)36-39)43-33-35-45-44-20-9-12-23-49(44)58(2,52(45)37-43)41-18-7-4-8-19-41/h3-37H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine?
N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine has a molecular weight of 784.04 g/mol, XLogP of 15.86, 6 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)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine is sourced from PubChem (CID 171453391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).