N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine

C54H37NS — CID 168766955

IUPACN-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5c(c4)sc4ccccc45)c3)c3ccccc3-c3cccc4ccccc34)cc21
InChIInChI=1S/C54H37NS/c1-54(39-18-3-2-4-19-39)49-26-10-7-22-44(49)45-32-30-41(35-50(45)54)55(51-27-11-8-23-46(51)43-25-14-16-36-15-5-6-21-42(36)43)40-20-13-17-37(33-40)38-29-31-48-47-24-9-12-28-52(47)56-53(48)34-38/h2-35H,1H3
InChIKeyWLQOCAMIKDHXJK-UHFFFAOYSA-N
MW731.96 g/mol
LogP15.35
Rot. Bonds6

About N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine

N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine (PubChem CID 168766955) has the molecular formula C54H37NS and a molecular weight of 731.96 g/mol. Its IUPAC name is N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
PubChem CID168766955
Molecular FormulaC54H37NS
Molecular Weight731.96 g/mol
Exact Mass731.26
IUPAC NameN-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5c(c4)sc4ccccc45)c3)c3ccccc3-c3cccc4ccccc34)cc21
InChIInChI=1S/C54H37NS/c1-54(39-18-3-2-4-19-39)49-26-10-7-22-44(49)45-32-30-41(35-50(45)54)55(51-27-11-8-23-46(51)43-25-14-16-36-15-5-6-21-42(36)43)40-20-13-17-37(33-40)38-29-31-48-47-24-9-12-28-52(47)56-53(48)34-38/h2-35H,1H3
InChIKeyWLQOCAMIKDHXJK-UHFFFAOYSA-N
XLogP15.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.96
LogP ≤ 515.35
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-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine
CID 171453391
9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170115713
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766637
N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218536
2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 171453726
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
CID 168766674
9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303515
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767284
N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine
CID 171453606
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767715
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine?
The IUPAC name of N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine (CID 168766955) is N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5c(c4)sc4ccccc45)c3)c3ccccc3-c3cccc4ccccc34)cc21.
What is the InChIKey of N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine?
The InChIKey is WLQOCAMIKDHXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NS/c1-54(39-18-3-2-4-19-39)49-26-10-7-22-44(49)45-32-30-41(35-50(45)54)55(51-27-11-8-23-46(51)43-25-14-16-36-15-5-6-21-42(36)43)40-20-13-17-37(33-40)38-29-31-48-47-24-9-12-28-52(47)56-53(48)34-38/h2-35H,1H3.
What are the key properties of N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine?
N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine has a molecular weight of 731.96 g/mol, XLogP of 15.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-3-ylphenyl)-9-methyl-N-(2-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine is sourced from PubChem (CID 168766955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).