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

C33H30N4O2 — CID 130353652

IUPAC9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1c(C)cc(-c2ncnc(-c3cc(C)cc(C)c3)n2)cc1C
InChIInChI=1S/C33H30N4O2/c1-19-11-20(2)13-23(12-19)32-34-18-35-33(36-32)24-14-21(3)31(22(4)15-24)37-29-9-7-25(38-5)16-27(29)28-17-26(39-6)8-10-30(28)37/h7-18H,1-6H3
InChIKeyDIRJWFVFHKNTJJ-UHFFFAOYSA-N
MW514.63 g/mol
LogP7.55
Rot. Bonds5

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

9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole (PubChem CID 130353652) has the molecular formula C33H30N4O2 and a molecular weight of 514.63 g/mol. Its IUPAC name is 9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole.

Molecular Properties

Compound Name9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole
PubChem CID130353652
Molecular FormulaC33H30N4O2
Molecular Weight514.63 g/mol
Exact Mass514.24
IUPAC Name9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1c(C)cc(-c2ncnc(-c3cc(C)cc(C)c3)n2)cc1C
InChIInChI=1S/C33H30N4O2/c1-19-11-20(2)13-23(12-19)32-34-18-35-33(36-32)24-14-21(3)31(22(4)15-24)37-29-9-7-25(38-5)16-27(29)28-17-26(39-6)8-10-30(28)37/h7-18H,1-6H3
InChIKeyDIRJWFVFHKNTJJ-UHFFFAOYSA-N
XLogP7.55
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole?
The IUPAC name of 9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole (CID 130353652) is 9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole.
What is the SMILES notation for 9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole?
The canonical SMILES for 9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1c(C)cc(-c2ncnc(-c3cc(C)cc(C)c3)n2)cc1C.
What is the InChIKey of 9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole?
The InChIKey is DIRJWFVFHKNTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4O2/c1-19-11-20(2)13-23(12-19)32-34-18-35-33(36-32)24-14-21(3)31(22(4)15-24)37-29-9-7-25(38-5)16-27(29)28-17-26(39-6)8-10-30(28)37/h7-18H,1-6H3.
What are the key properties of 9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole?
9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole has a molecular weight of 514.63 g/mol, XLogP of 7.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole is sourced from PubChem (CID 130353652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).