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

C55H39NS — CID 167326456

IUPAC2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4-c4ccc5sc6ccccc6c5c4)cc3)c21
InChIInChI=1S/C55H39NS/c1-55(2)50-19-8-5-15-46(50)48-18-11-17-45(54(48)55)38-26-31-43(32-27-38)56(42-29-24-37(25-30-42)40-23-22-36-12-3-4-13-39(36)34-40)51-20-9-6-14-44(51)41-28-33-53-49(35-41)47-16-7-10-21-52(47)57-53/h3-35H,1-2H3
InChIKeyBAUMFDYBSUGZRN-UHFFFAOYSA-N
MW745.99 g/mol
LogP15.98
Rot. Bonds6

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

2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 167326456) has the molecular formula C55H39NS and a molecular weight of 745.99 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID167326456
Molecular FormulaC55H39NS
Molecular Weight745.99 g/mol
Exact Mass745.28
IUPAC Name2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4-c4ccc5sc6ccccc6c5c4)cc3)c21
InChIInChI=1S/C55H39NS/c1-55(2)50-19-8-5-15-46(50)48-18-11-17-45(54(48)55)38-26-31-43(32-27-38)56(42-29-24-37(25-30-42)40-23-22-36-12-3-4-13-39(36)34-40)51-20-9-6-14-44(51)41-28-33-53-49(35-41)47-16-7-10-21-52(47)57-53/h3-35H,1-2H3
InChIKeyBAUMFDYBSUGZRN-UHFFFAOYSA-N
XLogP15.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.99
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 166565755
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 177113961
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218561
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-2-amine
CID 167236302
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 121321643
N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293330
2-dibenzothiophen-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325263
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-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326460
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine
CID 160590629
N-(2-dibenzothiophen-2-ylphenyl)-4-[4-(N-(2-dibenzothiophen-2-ylphenyl)-4-naphthalen-2-ylanilino)-3-methylphenyl]-2-methyl-N-(4-naphthalen-2-ylphenyl)aniline
CID 121323358
2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326082

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of 2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline (CID 167326456) is 2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for 2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for 2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4-c4ccc5sc6ccccc6c5c4)cc3)c21.
What is the InChIKey of 2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is BAUMFDYBSUGZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NS/c1-55(2)50-19-8-5-15-46(50)48-18-11-17-45(54(48)55)38-26-31-43(32-27-38)56(42-29-24-37(25-30-42)40-23-22-36-12-3-4-13-39(36)34-40)51-20-9-6-14-44(51)41-28-33-53-49(35-41)47-16-7-10-21-52(47)57-53/h3-35H,1-2H3.
What are the key properties of 2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 745.99 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 167326456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).