9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

C46H32N4S — CID 163457685

IUPAC9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESCC1(c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)n2)C=c2sc3ccccc3c2=CC1
InChIInChI=1S/C46H32N4S/c1-46(27-26-38-37-18-7-10-21-41(37)51-42(38)29-46)45-48-43(31-12-3-2-4-13-31)47-44(49-45)32-24-22-30(23-25-32)33-14-11-15-34(28-33)50-39-19-8-5-16-35(39)36-17-6-9-20-40(36)50/h2-26,28-29H,27H2,1H3
InChIKeyBLWBNOQBPHZFNY-UHFFFAOYSA-N
MW672.86 g/mol
LogP10.11
Rot. Bonds5

About 9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 163457685) has the molecular formula C46H32N4S and a molecular weight of 672.86 g/mol. Its IUPAC name is 9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
PubChem CID163457685
Molecular FormulaC46H32N4S
Molecular Weight672.86 g/mol
Exact Mass672.23
IUPAC Name9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESCC1(c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)n2)C=c2sc3ccccc3c2=CC1
InChIInChI=1S/C46H32N4S/c1-46(27-26-38-37-18-7-10-21-41(37)51-42(38)29-46)45-48-43(31-12-3-2-4-13-31)47-44(49-45)32-24-22-30(23-25-32)33-14-11-15-34(28-33)50-39-19-8-5-16-35(39)36-17-6-9-20-40(36)50/h2-26,28-29H,27H2,1H3
InChIKeyBLWBNOQBPHZFNY-UHFFFAOYSA-N
XLogP10.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.86
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 163457685) is 9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is CC1(c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)n2)C=c2sc3ccccc3c2=CC1.
What is the InChIKey of 9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The InChIKey is BLWBNOQBPHZFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4S/c1-46(27-26-38-37-18-7-10-21-41(37)51-42(38)29-46)45-48-43(31-12-3-2-4-13-31)47-44(49-45)32-24-22-30(23-25-32)33-14-11-15-34(28-33)50-39-19-8-5-16-35(39)36-17-6-9-20-40(36)50/h2-26,28-29H,27H2,1H3.
What are the key properties of 9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 672.86 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[4-(3-methyl-2H-dibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 163457685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).