N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine

C60H41NS — CID 168766674

IUPACN-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)cc21
InChIInChI=1S/C60H41NS/c1-60(45-20-3-2-4-21-45)56-29-9-7-24-52(56)53-36-35-48(39-57(53)60)61(46-33-31-41(32-34-46)50-26-13-16-40-15-5-6-23-49(40)50)47-22-12-18-43(38-47)42-17-11-19-44(37-42)51-27-14-28-55-54-25-8-10-30-58(54)62-59(51)55/h2-39H,1H3
InChIKeyZZOIOUPUHSTPFJ-UHFFFAOYSA-N
MW808.06 g/mol
LogP17.01
Rot. Bonds7

About N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine

N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine (PubChem CID 168766674) has the molecular formula C60H41NS and a molecular weight of 808.06 g/mol. Its IUPAC name is N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
PubChem CID168766674
Molecular FormulaC60H41NS
Molecular Weight808.06 g/mol
Exact Mass807.30
IUPAC NameN-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)cc21
InChIInChI=1S/C60H41NS/c1-60(45-20-3-2-4-21-45)56-29-9-7-24-52(56)53-36-35-48(39-57(53)60)61(46-33-31-41(32-34-46)50-26-13-16-40-15-5-6-23-49(40)50)47-22-12-18-43(38-47)42-17-11-19-44(37-42)51-27-14-28-55-54-25-8-10-30-58(54)62-59(51)55/h2-39H,1H3
InChIKeyZZOIOUPUHSTPFJ-UHFFFAOYSA-N
XLogP17.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.06
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
CID 168766941
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168767516
N-(4-dibenzothiophen-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine
CID 171453670
3-dibenzothiophen-4-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 168766727
N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766671
N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
CID 168766955
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160975238
3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 170216191
N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218536

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine?
The IUPAC name of N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine (CID 168766674) is N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine.
What is the SMILES notation for N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine?
The canonical SMILES for N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)cc21.
What is the InChIKey of N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine?
The InChIKey is ZZOIOUPUHSTPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NS/c1-60(45-20-3-2-4-21-45)56-29-9-7-24-52(56)53-36-35-48(39-57(53)60)61(46-33-31-41(32-34-46)50-26-13-16-40-15-5-6-23-49(40)50)47-22-12-18-43(38-47)42-17-11-19-44(37-42)51-27-14-28-55-54-25-8-10-30-58(54)62-59(51)55/h2-39H,1H3.
What are the key properties of N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine?
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine has a molecular weight of 808.06 g/mol, XLogP of 17.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine is sourced from PubChem (CID 168766674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).