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

C31H26N4 — CID 130353275

IUPAC3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1c(C)cc(C)c(-c2ncncn2)c1C
InChIInChI=1S/C31H26N4/c1-19-10-12-27-25(14-19)26-16-24(23-8-6-5-7-9-23)11-13-28(26)35(27)30-21(3)15-20(2)29(22(30)4)31-33-17-32-18-34-31/h5-18H,1-4H3
InChIKeyGVWHYRYRKVIRCL-UHFFFAOYSA-N
MW454.58 g/mol
LogP7.54
Rot. Bonds3

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

3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 130353275) has the molecular formula C31H26N4 and a molecular weight of 454.58 g/mol. Its IUPAC name is 3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID130353275
Molecular FormulaC31H26N4
Molecular Weight454.58 g/mol
Exact Mass454.22
IUPAC Name3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1c(C)cc(C)c(-c2ncncn2)c1C
InChIInChI=1S/C31H26N4/c1-19-10-12-27-25(14-19)26-16-24(23-8-6-5-7-9-23)11-13-28(26)35(27)30-21(3)15-20(2)29(22(30)4)31-33-17-32-18-34-31/h5-18H,1-4H3
InChIKeyGVWHYRYRKVIRCL-UHFFFAOYSA-N
XLogP7.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.58
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole (CID 130353275) is 3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole is Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1c(C)cc(C)c(-c2ncncn2)c1C.
What is the InChIKey of 3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is GVWHYRYRKVIRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4/c1-19-10-12-27-25(14-19)26-16-24(23-8-6-5-7-9-23)11-13-28(26)35(27)30-21(3)15-20(2)29(22(30)4)31-33-17-32-18-34-31/h5-18H,1-4H3.
What are the key properties of 3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole?
3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 454.58 g/mol, XLogP of 7.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 130353275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).