N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine

C61H43NS — CID 166565755

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6cccc(-c7ccc8ccccc8c7)c6)c5)cc4)c4ccc5c(c4)sc4ccccc45)cc3)c21
InChIInChI=1S/C61H43NS/c1-61(2)57-22-7-5-18-53(57)56-21-11-20-52(60(56)61)42-28-32-50(33-29-42)62(51-34-35-55-54-19-6-8-23-58(54)63-59(55)39-51)49-30-26-41(27-31-49)44-14-9-15-45(36-44)46-16-10-17-47(38-46)48-25-24-40-12-3-4-13-43(40)37-48/h3-39H,1-2H3
InChIKeyKWGOPYUFRAMZCP-UHFFFAOYSA-N
MW822.09 g/mol
LogP17.65
Rot. Bonds7

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine (PubChem CID 166565755) has the molecular formula C61H43NS and a molecular weight of 822.09 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
PubChem CID166565755
Molecular FormulaC61H43NS
Molecular Weight822.09 g/mol
Exact Mass821.31
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6cccc(-c7ccc8ccccc8c7)c6)c5)cc4)c4ccc5c(c4)sc4ccccc45)cc3)c21
InChIInChI=1S/C61H43NS/c1-61(2)57-22-7-5-18-53(57)56-21-11-20-52(60(56)61)42-28-32-50(33-29-42)62(51-34-35-55-54-19-6-8-23-58(54)63-59(55)39-51)49-30-26-41(27-31-49)44-14-9-15-45(36-44)46-16-10-17-47(38-46)48-25-24-40-12-3-4-13-43(40)37-48/h3-39H,1-2H3
InChIKeyKWGOPYUFRAMZCP-UHFFFAOYSA-N
XLogP17.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.09
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323779
2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167326456
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167324283
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
CID 166565837
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323768
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
2,3,5,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 171451556
2,3,5,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 171451147
N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218536
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-3-amine
CID 170042855
7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-9-amine
CID 146491380
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 129085267

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine (CID 166565755) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6cccc(-c7ccc8ccccc8c7)c6)c5)cc4)c4ccc5c(c4)sc4ccccc45)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine?
The InChIKey is KWGOPYUFRAMZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43NS/c1-61(2)57-22-7-5-18-53(57)56-21-11-20-52(60(56)61)42-28-32-50(33-29-42)62(51-34-35-55-54-19-6-8-23-58(54)63-59(55)39-51)49-30-26-41(27-31-49)44-14-9-15-45(36-44)46-16-10-17-47(38-46)48-25-24-40-12-3-4-13-43(40)37-48/h3-39H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine has a molecular weight of 822.09 g/mol, XLogP of 17.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 166565755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).