3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole

C32H28N4OS — CID 130353857

IUPAC3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCOc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1c(C)cc(C)c(-c2ncnc(SC)n2)c1C
InChIInChI=1S/C32H28N4OS/c1-19-15-20(2)30(21(3)29(19)31-33-18-34-32(35-31)38-5)36-27-13-11-23(22-9-7-6-8-10-22)16-25(27)26-17-24(37-4)12-14-28(26)36/h6-18H,1-5H3
InChIKeyHWDUABBSMDZPSF-UHFFFAOYSA-N
MW516.67 g/mol
LogP7.96
Rot. Bonds5

About 3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole

3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 130353857) has the molecular formula C32H28N4OS and a molecular weight of 516.67 g/mol. Its IUPAC name is 3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID130353857
Molecular FormulaC32H28N4OS
Molecular Weight516.67 g/mol
Exact Mass516.20
IUPAC Name3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCOc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1c(C)cc(C)c(-c2ncnc(SC)n2)c1C
InChIInChI=1S/C32H28N4OS/c1-19-15-20(2)30(21(3)29(19)31-33-18-34-32(35-31)38-5)36-27-13-11-23(22-9-7-6-8-10-22)16-25(27)26-17-24(37-4)12-14-28(26)36/h6-18H,1-5H3
InChIKeyHWDUABBSMDZPSF-UHFFFAOYSA-N
XLogP7.96
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.67
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2,6-dimethyl-4-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-6-(2,3,5,6-tetramethylphenyl)carbazole
CID 130354747
3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 130353291
9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole
CID 130354687
9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole
CID 130353572
3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole
CID 130353275
9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole
CID 130353652
5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole
CID 102261827
3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157191392
3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole
CID 161371248
2-[3-methoxy-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418165
3-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(4-carbazol-9-ylphenyl)-6-methoxycarbazol-3-yl]-6-methoxy-9-phenylcarbazole;[9-(4-carbazol-9-ylphenyl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]-trimethylsilane
CID 157135104
9-[4-(3,6-diphenylcarbazol-9-yl)-2,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 138701287

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 130353857) is 3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole is COc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1c(C)cc(C)c(-c2ncnc(SC)n2)c1C.
What is the InChIKey of 3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is HWDUABBSMDZPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4OS/c1-19-15-20(2)30(21(3)29(19)31-33-18-34-32(35-31)38-5)36-27-13-11-23(22-9-7-6-8-10-22)16-25(27)26-17-24(37-4)12-14-28(26)36/h6-18H,1-5H3.
What are the key properties of 3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole?
3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 516.67 g/mol, XLogP of 7.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 130353857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).