N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine

C58H41NS — CID 163480005

IUPACN-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)cccc21
InChIInChI=1S/C58H41NS/c1-57(2)48-25-12-11-23-46(48)55-51(57)28-16-29-52(55)59(42-34-31-39(32-35-42)38-17-5-3-6-18-38)53-30-15-24-45-47-37-41(33-36-54(47)60-56(45)53)58(40-19-7-4-8-20-40)49-26-13-9-21-43(49)44-22-10-14-27-50(44)58/h3-37H,1-2H3
InChIKeyKXMRMGLUAPZGFI-UHFFFAOYSA-N
MW784.04 g/mol
LogP15.86
Rot. Bonds6

About N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine

N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 163480005) has the molecular formula C58H41NS and a molecular weight of 784.04 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
PubChem CID163480005
Molecular FormulaC58H41NS
Molecular Weight784.04 g/mol
Exact Mass783.30
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)cccc21
InChIInChI=1S/C58H41NS/c1-57(2)48-25-12-11-23-46(48)55-51(57)28-16-29-52(55)59(42-34-31-39(32-35-42)38-17-5-3-6-18-38)53-30-15-24-45-47-37-41(33-36-54(47)60-56(45)53)58(40-19-7-4-8-20-40)49-26-13-9-21-43(49)44-22-10-14-27-50(44)58/h3-37H,1-2H3
InChIKeyKXMRMGLUAPZGFI-UHFFFAOYSA-N
XLogP15.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.04
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 163549331
1-N-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-4-yl)-1-N-phenyl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 155096793
N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 163581266
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine
CID 121423516
N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 163497598
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789139
N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424642
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine
CID 162180065
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 172544925
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzothiophen-4-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-2-amine
CID 162178464

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine (CID 163480005) is N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is KXMRMGLUAPZGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NS/c1-57(2)48-25-12-11-23-46(48)55-51(57)28-16-29-52(55)59(42-34-31-39(32-35-42)38-17-5-3-6-18-38)53-30-15-24-45-47-37-41(33-36-54(47)60-56(45)53)58(40-19-7-4-8-20-40)49-26-13-9-21-43(49)44-22-10-14-27-50(44)58/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 784.04 g/mol, XLogP of 15.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 163480005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).