N-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine

C55H38N4S — CID 170096047

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3Cc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3-4)cc21
InChIInChI=1S/C55H38N4S/c1-55(2)47-21-11-9-18-42(47)43-28-25-38(32-48(43)55)59(39-26-29-45-44-19-10-12-23-50(44)60-51(45)33-39)49-22-13-20-41-40-27-24-36(30-37(40)31-46(41)49)54-57-52(34-14-5-3-6-15-34)56-53(58-54)35-16-7-4-8-17-35/h3-30,32-33H,31H2,1-2H3
InChIKeyRLHMHIBUOSWXIE-UHFFFAOYSA-N
MW787.00 g/mol
LogP14.59
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine (PubChem CID 170096047) has the molecular formula C55H38N4S and a molecular weight of 787.00 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine
PubChem CID170096047
Molecular FormulaC55H38N4S
Molecular Weight787.00 g/mol
Exact Mass786.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3Cc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3-4)cc21
InChIInChI=1S/C55H38N4S/c1-55(2)47-21-11-9-18-42(47)43-28-25-38(32-48(43)55)59(39-26-29-45-44-19-10-12-23-50(44)60-51(45)33-39)49-22-13-20-41-40-27-24-36(30-37(40)31-46(41)49)54-57-52(34-14-5-3-6-15-34)56-53(58-54)35-16-7-4-8-17-35/h3-30,32-33H,31H2,1-2H3
InChIKeyRLHMHIBUOSWXIE-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-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170096050
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
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-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 177274801
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-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine
CID 156554191
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
2-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 154624618
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 155220978
N,N-bis(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170096041
N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine
CID 161049325

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine?
The IUPAC name of 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) is N-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3Cc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine?
The InChIKey is RLHMHIBUOSWXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4S/c1-55(2)47-21-11-9-18-42(47)43-28-25-38(32-48(43)55)59(39-26-29-45-44-19-10-12-23-50(44)60-51(45)33-39)49-22-13-20-41-40-27-24-36(30-37(40)31-46(41)49)54-57-52(34-14-5-3-6-15-34)56-53(58-54)35-16-7-4-8-17-35/h3-30,32-33H,31H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-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)-N-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]dibenzothiophen-3-amine is sourced from PubChem (CID 170096047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).