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

C54H37N5S — CID 171726917

IUPACN-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)c3cccc4sc5ccccc5c34)cc21
InChIInChI=1S/C54H37N5S/c1-54(2)43-26-12-9-21-37(43)38-32-31-36(33-44(38)54)59(46-28-16-30-48-49(46)41-23-11-14-29-47(41)60-48)53-56-51(34-17-5-3-6-18-34)55-52(57-53)42-25-15-24-40-39-22-10-13-27-45(39)58(50(40)42)35-19-7-4-8-20-35/h3-33H,1-2H3
InChIKeyMESOIAMDSNMZTM-UHFFFAOYSA-N
MW787.99 g/mol
LogP14.45
Rot. Bonds6

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

N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 171726917) has the molecular formula C54H37N5S and a molecular weight of 787.99 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID171726917
Molecular FormulaC54H37N5S
Molecular Weight787.99 g/mol
Exact Mass787.28
IUPAC NameN-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)c3cccc4sc5ccccc5c34)cc21
InChIInChI=1S/C54H37N5S/c1-54(2)43-26-12-9-21-37(43)38-32-31-36(33-44(38)54)59(46-28-16-30-48-49(46)41-23-11-14-29-47(41)60-48)53-56-51(34-17-5-3-6-18-34)55-52(57-53)42-25-15-24-40-39-22-10-13-27-45(39)58(50(40)42)35-19-7-4-8-20-35/h3-33H,1-2H3
InChIKeyMESOIAMDSNMZTM-UHFFFAOYSA-N
XLogP14.45
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.99
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine
CID 171727074
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
1-dibenzothiophen-1-yl-9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 163668654
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177080212
4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine
CID 171727185
3-[3-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 161303255
1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648774
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 138577563
4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline
CID 118550539
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168790284
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 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) is N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)c3cccc4sc5ccccc5c34)cc21.
What is the InChIKey of N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is MESOIAMDSNMZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N5S/c1-54(2)43-26-12-9-21-37(43)38-32-31-36(33-44(38)54)59(46-28-16-30-48-49(46)41-23-11-14-29-47(41)60-48)53-56-51(34-17-5-3-6-18-34)55-52(57-53)42-25-15-24-40-39-22-10-13-27-45(39)58(50(40)42)35-19-7-4-8-20-35/h3-33H,1-2H3.
What are the key properties of N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine?
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 787.99 g/mol, XLogP of 14.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171726917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).