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

C55H39NS — CID 167326460

IUPAC2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4cccc5sc6ccccc6c45)cc3)c21
InChIInChI=1S/C55H39NS/c1-55(2)49-24-8-5-17-44(49)47-23-12-21-43(54(47)55)38-30-34-40(35-31-38)56(39-32-28-37(29-33-39)42-20-11-15-36-14-3-4-16-41(36)42)50-25-9-6-18-45(50)46-22-13-27-52-53(46)48-19-7-10-26-51(48)57-52/h3-35H,1-2H3
InChIKeyOBKZQOPCRKYFTN-UHFFFAOYSA-N
MW745.99 g/mol
LogP15.98
Rot. Bonds6

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

2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 167326460) has the molecular formula C55H39NS and a molecular weight of 745.99 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID167326460
Molecular FormulaC55H39NS
Molecular Weight745.99 g/mol
Exact Mass745.28
IUPAC Name2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4cccc5sc6ccccc6c45)cc3)c21
InChIInChI=1S/C55H39NS/c1-55(2)49-24-8-5-17-44(49)47-23-12-21-43(54(47)55)38-30-34-40(35-31-38)56(39-32-28-37(29-33-39)42-20-11-15-36-14-3-4-16-41(36)42)50-25-9-6-18-45(50)46-22-13-27-52-53(46)48-19-7-10-26-51(48)57-52/h3-35H,1-2H3
InChIKeyOBKZQOPCRKYFTN-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

2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 167326040
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-2-amine
CID 167236302
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143121
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167234954
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 167330802
2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326123
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
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]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 168846186
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217420

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline (CID 167326460) is 2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4cccc5sc6ccccc6c45)cc3)c21.
What is the InChIKey of 2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is OBKZQOPCRKYFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NS/c1-55(2)49-24-8-5-17-44(49)47-23-12-21-43(54(47)55)38-30-34-40(35-31-38)56(39-32-28-37(29-33-39)42-20-11-15-36-14-3-4-16-41(36)42)50-25-9-6-18-45(50)46-22-13-27-52-53(46)48-19-7-10-26-51(48)57-52/h3-35H,1-2H3.
What are the key properties of 2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-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-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 167326460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).