12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole

C25H20N4O — CID 165098939

IUPAC12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole
SMILESCc1cc(C)c2oc3c(ccc4c5ccccc5n(-c5nc(C)nc(C)n5)c43)c2c1
InChIInChI=1S/C25H20N4O/c1-13-11-14(2)23-20(12-13)19-10-9-18-17-7-5-6-8-21(17)29(22(18)24(19)30-23)25-27-15(3)26-16(4)28-25/h5-12H,1-4H3
InChIKeyYTYZUQZXFGOIFT-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.10
Rot. Bonds1

About 12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole

12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 165098939) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole
PubChem CID165098939
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole
SMILESCc1cc(C)c2oc3c(ccc4c5ccccc5n(-c5nc(C)nc(C)n5)c43)c2c1
InChIInChI=1S/C25H20N4O/c1-13-11-14(2)23-20(12-13)19-10-9-18-17-7-5-6-8-21(17)29(22(18)24(19)30-23)25-27-15(3)26-16(4)28-25/h5-12H,1-4H3
InChIKeyYTYZUQZXFGOIFT-UHFFFAOYSA-N
XLogP6.10
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-(4,6-dimethyl-1,3,5-triazin-2-yl)-1-methyl-[1]benzofuro[2,3-a]carbazole;12-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methyl-[1]benzofuro[2,3-a]carbazole;12-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-methyl-[1]benzofuro[2,3-a]carbazole;12-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-methyl-[1]benzofuro[2,3-a]carbazole;12-(4,6-dimethyl-1,3,5-triazin-2-yl)-7-methyl-[1]benzofuro[2,3-a]carbazole
CID 165011108
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163419363
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701783
12-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-methylindolo[3,2-c]carbazole
CID 174256085
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole
CID 164757777
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530
12-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 146573160
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole;8,10-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;8,10-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole
CID 164991782
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene
CID 122524180
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole
CID 164757804
11-(4,6-diphenyl-1,3,5-triazin-2-yl)isochromeno[3,4-a]carbazol-13-one
CID 118248412

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole (CID 165098939) is 12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole is Cc1cc(C)c2oc3c(ccc4c5ccccc5n(-c5nc(C)nc(C)n5)c43)c2c1.
What is the InChIKey of 12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is YTYZUQZXFGOIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-13-11-14(2)23-20(12-13)19-10-9-18-17-7-5-6-8-21(17)29(22(18)24(19)30-23)25-27-15(3)26-16(4)28-25/h5-12H,1-4H3.
What are the key properties of 12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole?
12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 392.46 g/mol, XLogP of 6.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-dimethyl-1,3,5-triazin-2-yl)-8,10-dimethyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 165098939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).