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

C55H38N4S — CID 145007022

IUPACN-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4sc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)c3cccc4c3-c3ccccc3C4)cc21
InChIInChI=1S/C55H38N4S/c1-55(2)45-24-12-11-22-41(45)42-29-27-39(33-46(42)55)59(47-25-13-20-37-31-36-19-9-10-21-40(36)50(37)47)38-28-30-48-44(32-38)51-43(23-14-26-49(51)60-48)54-57-52(34-15-5-3-6-16-34)56-53(58-54)35-17-7-4-8-18-35/h3-30,32-33H,31H2,1-2H3
InChIKeySLERJGZFNWVTNP-UHFFFAOYSA-N
MW787.00 g/mol
LogP14.59
Rot. Bonds6

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

N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine (PubChem CID 145007022) has the molecular formula C55H38N4S and a molecular weight of 787.00 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine
PubChem CID145007022
Molecular FormulaC55H38N4S
Molecular Weight787.00 g/mol
Exact Mass786.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4sc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)c3cccc4c3-c3ccccc3C4)cc21
InChIInChI=1S/C55H38N4S/c1-55(2)45-24-12-11-22-41(45)42-29-27-39(33-46(42)55)59(47-25-13-20-37-31-36-19-9-10-21-40(36)50(37)47)38-28-30-48-44(32-38)51-43(23-14-26-49(51)60-48)54-57-52(34-15-5-3-6-16-34)56-53(58-54)35-17-7-4-8-18-35/h3-30,32-33H,31H2,1-2H3
InChIKeySLERJGZFNWVTNP-UHFFFAOYSA-N
XLogP14.59
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.00
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-[2-[8-(4-phenylphenyl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 134199147
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-(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-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-15-azapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-amine
CID 155240655
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
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
9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166881122
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[8-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946763
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170096050
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine (CID 145007022) is N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4sc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)c3cccc4c3-c3ccccc3C4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine?
The InChIKey is SLERJGZFNWVTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4S/c1-55(2)45-24-12-11-22-41(45)42-29-27-39(33-46(42)55)59(47-25-13-20-37-31-36-19-9-10-21-40(36)50(37)47)38-28-30-48-44(32-38)51-43(23-14-26-49(51)60-48)54-57-52(34-15-5-3-6-16-34)56-53(58-54)35-17-7-4-8-18-35/h3-30,32-33H,31H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine has a molecular weight of 787.00 g/mol, XLogP of 14.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9H-fluoren-4-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 145007022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).