9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole

C33H30N4O — CID 130354687

IUPAC9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole
SMILESCOc1ccc2c(c1)c1ccccc1n2-c1c(C)cc(C)c(-c2ncnc(-c3c(C)cccc3C)n2)c1C
InChIInChI=1S/C33H30N4O/c1-19-10-9-11-20(2)29(19)32-34-18-35-33(36-32)30-21(3)16-22(4)31(23(30)5)37-27-13-8-7-12-25(27)26-17-24(38-6)14-15-28(26)37/h7-18H,1-6H3
InChIKeyOVQKHDGRQZXGBT-UHFFFAOYSA-N
MW498.63 g/mol
LogP7.85
Rot. Bonds4

About 9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole

9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole (PubChem CID 130354687) has the molecular formula C33H30N4O and a molecular weight of 498.63 g/mol. Its IUPAC name is 9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole.

Molecular Properties

Compound Name9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole
PubChem CID130354687
Molecular FormulaC33H30N4O
Molecular Weight498.63 g/mol
Exact Mass498.24
IUPAC Name9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole
SMILESCOc1ccc2c(c1)c1ccccc1n2-c1c(C)cc(C)c(-c2ncnc(-c3c(C)cccc3C)n2)c1C
InChIInChI=1S/C33H30N4O/c1-19-10-9-11-20(2)29(19)32-34-18-35-33(36-32)30-21(3)16-22(4)31(23(30)5)37-27-13-8-7-12-25(27)26-17-24(38-6)14-15-28(26)37/h7-18H,1-6H3
InChIKeyOVQKHDGRQZXGBT-UHFFFAOYSA-N
XLogP7.85
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole?
The IUPAC name of 9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole (CID 130354687) is 9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole.
What is the SMILES notation for 9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole?
The canonical SMILES for 9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole is COc1ccc2c(c1)c1ccccc1n2-c1c(C)cc(C)c(-c2ncnc(-c3c(C)cccc3C)n2)c1C.
What is the InChIKey of 9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole?
The InChIKey is OVQKHDGRQZXGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4O/c1-19-10-9-11-20(2)29(19)32-34-18-35-33(36-32)30-21(3)16-22(4)31(23(30)5)37-27-13-8-7-12-25(27)26-17-24(38-6)14-15-28(26)37/h7-18H,1-6H3.
What are the key properties of 9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole?
9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole has a molecular weight of 498.63 g/mol, XLogP of 7.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole is sourced from PubChem (CID 130354687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).