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

C60H46N4S — CID 171726884

IUPACN-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4cccc5c4C(C)(C)c4ccccc4-5)nc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5sc6ccccc6c45)n3)ccc21
InChIInChI=1S/C60H46N4S/c1-58(2)46-24-12-9-19-39(46)44-33-35(29-32-48(44)58)55-61-56(43-22-15-21-41-38-18-8-13-25-47(38)60(5,6)54(41)43)63-57(62-55)64(50-26-16-28-52-53(50)42-20-10-14-27-51(42)65-52)36-30-31-40-37-17-7-11-23-45(37)59(3,4)49(40)34-36/h7-34H,1-6H3
InChIKeyVQOZUASHWJXXTK-UHFFFAOYSA-N
MW855.12 g/mol
LogP15.96
Rot. Bonds5

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

N-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine (PubChem CID 171726884) has the molecular formula C60H46N4S and a molecular weight of 855.12 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine
PubChem CID171726884
Molecular FormulaC60H46N4S
Molecular Weight855.12 g/mol
Exact Mass854.34
IUPAC NameN-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4cccc5c4C(C)(C)c4ccccc4-5)nc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5sc6ccccc6c45)n3)ccc21
InChIInChI=1S/C60H46N4S/c1-58(2)46-24-12-9-19-39(46)44-33-35(29-32-48(44)58)55-61-56(43-22-15-21-41-38-18-8-13-25-47(38)60(5,6)54(41)43)63-57(62-55)64(50-26-16-28-52-53(50)42-20-10-14-27-51(42)65-52)36-30-31-40-37-17-7-11-23-45(37)59(3,4)49(40)34-36/h7-34H,1-6H3
InChIKeyVQOZUASHWJXXTK-UHFFFAOYSA-N
XLogP15.96
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.12
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine
CID 171727185
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 171727168
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine
CID 171726917
N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine
CID 171727139
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168839586
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217420
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-1-amine
CID 170217891
N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine
CID 146295016
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-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine
CID 170096047
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)fluoren-2-amine
CID 168807300

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine (CID 171726884) is N-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine is CC1(C)c2ccccc2-c2cc(-c3nc(-c4cccc5c4C(C)(C)c4ccccc4-5)nc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5sc6ccccc6c45)n3)ccc21.
What is the InChIKey of N-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is VQOZUASHWJXXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N4S/c1-58(2)46-24-12-9-19-39(46)44-33-35(29-32-48(44)58)55-61-56(43-22-15-21-41-38-18-8-13-25-47(38)60(5,6)54(41)43)63-57(62-55)64(50-26-16-28-52-53(50)42-20-10-14-27-51(42)65-52)36-30-31-40-37-17-7-11-23-45(37)59(3,4)49(40)34-36/h7-34H,1-6H3.
What are the key properties of N-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine?
N-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 855.12 g/mol, XLogP of 15.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171726884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).