2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C52H37N3S — CID 156530503

IUPAC2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2c(-c3ccccc3)sc(-c3cccc(-c4ccccc4)c3)c21
InChIInChI=1S/C52H37N3S/c1-52(2)44-33-40(39-26-16-28-42(32-39)51-54-49(36-21-11-5-12-22-36)53-50(55-51)37-23-13-6-14-24-37)29-30-43(44)45-46(52)48(56-47(45)35-19-9-4-10-20-35)41-27-15-25-38(31-41)34-17-7-3-8-18-34/h3-33H,1-2H3
InChIKeyXTOPPLRZBCSIIP-UHFFFAOYSA-N
MW735.96 g/mol
LogP13.91
Rot. Bonds7

About 2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 156530503) has the molecular formula C52H37N3S and a molecular weight of 735.96 g/mol. Its IUPAC name is 2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID156530503
Molecular FormulaC52H37N3S
Molecular Weight735.96 g/mol
Exact Mass735.27
IUPAC Name2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2c(-c3ccccc3)sc(-c3cccc(-c4ccccc4)c3)c21
InChIInChI=1S/C52H37N3S/c1-52(2)44-33-40(39-26-16-28-42(32-39)51-54-49(36-21-11-5-12-22-36)53-50(55-51)37-23-13-6-14-24-37)29-30-43(44)45-46(52)48(56-47(45)35-19-9-4-10-20-35)41-27-15-25-38(31-41)34-17-7-3-8-18-34/h3-33H,1-2H3
InChIKeyXTOPPLRZBCSIIP-UHFFFAOYSA-N
XLogP13.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.96
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4,4-dimethyl-1-phenylindeno[1,2-c]thiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 156530253
2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine
CID 156791075
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150871
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[9,9-dimethyl-7-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 167056770
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
4-[3-[3-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272149
2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine
CID 156530529
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
2-[3-(5-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162775840
2-[4-[3-(5-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 162775812

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 156530503) is 2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2c(-c3ccccc3)sc(-c3cccc(-c4ccccc4)c3)c21.
What is the InChIKey of 2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XTOPPLRZBCSIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3S/c1-52(2)44-33-40(39-26-16-28-42(32-39)51-54-49(36-21-11-5-12-22-36)53-50(55-51)37-23-13-6-14-24-37)29-30-43(44)45-46(52)48(56-47(45)35-19-9-4-10-20-35)41-27-15-25-38(31-41)34-17-7-3-8-18-34/h3-33H,1-2H3.
What are the key properties of 2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 735.96 g/mol, XLogP of 13.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 156530503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).