4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine

C57H40N4S2 — CID 171727133

IUPAC4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(N(c4cccc5c4-c4ccccc4C5(C)C)c4cccc5c4sc4ccccc45)n3)cc21
InChIInChI=1S/C57H40N4S2/c1-56(2)43-21-10-6-18-40(43)51-44(56)22-14-23-46(51)61(47-24-13-19-39-37-16-7-12-26-49(37)63-52(39)47)55-59-53(33-28-30-50-41(31-33)38-17-8-11-25-48(38)62-50)58-54(60-55)34-27-29-36-35-15-5-9-20-42(35)57(3,4)45(36)32-34/h5-32H,1-4H3
InChIKeyOLHJNPDNLMWMBU-UHFFFAOYSA-N
MW845.11 g/mol
LogP16.02
Rot. Bonds5

About 4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine

4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine (PubChem CID 171727133) has the molecular formula C57H40N4S2 and a molecular weight of 845.11 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine
PubChem CID171727133
Molecular FormulaC57H40N4S2
Molecular Weight845.11 g/mol
Exact Mass844.27
IUPAC Name4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(N(c4cccc5c4-c4ccccc4C5(C)C)c4cccc5c4sc4ccccc45)n3)cc21
InChIInChI=1S/C57H40N4S2/c1-56(2)43-21-10-6-18-40(43)51-44(56)22-14-23-46(51)61(47-24-13-19-39-37-16-7-12-26-49(37)63-52(39)47)55-59-53(33-28-30-50-41(31-33)38-17-8-11-25-48(38)62-50)58-54(60-55)34-27-29-36-35-15-5-9-20-42(35)57(3,4)45(36)32-34/h5-32H,1-4H3
InChIKeyOLHJNPDNLMWMBU-UHFFFAOYSA-N
XLogP16.02
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.11
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine
CID 167349473
4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine
CID 171727012
7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-4-amine
CID 118193710
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 172544925
N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine
CID 172544754
N-(9,9-dimethylfluoren-2-yl)-N-(7,7-dimethyl-9-naphthalen-2-ylbenzo[a]phenalen-1-yl)dibenzothiophen-4-amine
CID 167232236
2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 158464749
N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113932
2-chloro-4,6-di(dibenzothiophen-1-yl)-1,3,5-triazine;2-chloro-4,6-di(dibenzothiophen-2-yl)-1,3,5-triazine;2-chloro-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 163650468
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177114078
N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine
CID 171726933
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine (CID 171727133) is 4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(N(c4cccc5c4-c4ccccc4C5(C)C)c4cccc5c4sc4ccccc45)n3)cc21.
What is the InChIKey of 4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is OLHJNPDNLMWMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N4S2/c1-56(2)43-21-10-6-18-40(43)51-44(56)22-14-23-46(51)61(47-24-13-19-39-37-16-7-12-26-49(37)63-52(39)47)55-59-53(33-28-30-50-41(31-33)38-17-8-11-25-48(38)62-50)58-54(60-55)34-27-29-36-35-15-5-9-20-42(35)57(3,4)45(36)32-34/h5-32H,1-4H3.
What are the key properties of 4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine?
4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 845.11 g/mol, XLogP of 16.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).