6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole

C48H34N4S — CID 118228656

IUPAC6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
SMILESCN1C(c2ccccc2)=NC(c2cccc(-n3c4ccccc4c4c5sc(-c6ccccc6)c(-c6ccccc6)c5ccc43)c2)=N[C@@H]1c1ccccc1
InChIInChI=1S/C48H34N4S/c1-51-47(34-21-10-4-11-22-34)49-46(50-48(51)35-23-12-5-13-24-35)36-25-16-26-37(31-36)52-40-28-15-14-27-38(40)43-41(52)30-29-39-42(32-17-6-2-7-18-32)44(53-45(39)43)33-19-8-3-9-20-33/h2-31,47H,1H3/t47-/m0/s1
InChIKeyLOESIOLIEVGFQA-MFERNQICSA-N
MW698.90 g/mol
LogP12.17
Rot. Bonds6

About 6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole

6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole (PubChem CID 118228656) has the molecular formula C48H34N4S and a molecular weight of 698.90 g/mol. Its IUPAC name is 6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole.

Molecular Properties

Compound Name6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
PubChem CID118228656
Molecular FormulaC48H34N4S
Molecular Weight698.90 g/mol
Exact Mass698.25
IUPAC Name6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
SMILESCN1C(c2ccccc2)=NC(c2cccc(-n3c4ccccc4c4c5sc(-c6ccccc6)c(-c6ccccc6)c5ccc43)c2)=N[C@@H]1c1ccccc1
InChIInChI=1S/C48H34N4S/c1-51-47(34-21-10-4-11-22-34)49-46(50-48(51)35-23-12-5-13-24-35)36-25-16-26-37(31-36)52-40-28-15-14-27-38(40)43-41(52)30-29-39-42(32-17-6-2-7-18-32)44(53-45(39)43)33-19-8-3-9-20-33/h2-31,47H,1H3/t47-/m0/s1
InChIKeyLOESIOLIEVGFQA-MFERNQICSA-N
XLogP12.17
TPSA32.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.90
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 163972576
3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118004609
5'-[3-[3-methyl-6-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazin-4-yl]phenyl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]
CID 152823383
6-dibenzothiophen-2-yl-2,3-diphenylthieno[3,2-c]carbazole
CID 118228202
9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole
CID 118145242
5-[5-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)thieno[2,3-b]thiophen-2-yl]-3,9-diphenylcarbazole
CID 129022069
16-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]-2,13-dioxa-16-azahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15(23),17,19,21,24-undecaene
CID 145110153
2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
CID 118229645
4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde
CID 145092783
10-methyl-9,22-diphenyl-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,12,14,16(29),17(28),18,20,23,25-tetradecaene
CID 138601064
6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-6-pyridin-4-yl-1,2,3,4-tetrahydropyrimidin-2-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118228086
6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118229648

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole?
The IUPAC name of 6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole (CID 118228656) is 6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole.
What is the SMILES notation for 6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole?
The canonical SMILES for 6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole is CN1C(c2ccccc2)=NC(c2cccc(-n3c4ccccc4c4c5sc(-c6ccccc6)c(-c6ccccc6)c5ccc43)c2)=N[C@@H]1c1ccccc1.
What is the InChIKey of 6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole?
The InChIKey is LOESIOLIEVGFQA-MFERNQICSA-N. The full InChI is InChI=1S/C48H34N4S/c1-51-47(34-21-10-4-11-22-34)49-46(50-48(51)35-23-12-5-13-24-35)36-25-16-26-37(31-36)52-40-28-15-14-27-38(40)43-41(52)30-29-39-42(32-17-6-2-7-18-32)44(53-45(39)43)33-19-8-3-9-20-33/h2-31,47H,1H3/t47-/m0/s1.
What are the key properties of 6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole?
6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole has a molecular weight of 698.90 g/mol, XLogP of 12.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole is sourced from PubChem (CID 118228656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).