9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole

C139H92N12O3 — CID 159575146

IUPAC9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc2c3ccc(C)cc3n(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.Cc1ccc2c3ccccc3n(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C47H32N4O.2C46H30N4O/c1-29-17-21-35-36-22-18-30(2)26-42(36)51(41(35)25-29)40-23-19-33(34-20-24-44-38(27-34)37-15-9-10-16-43(37)52-44)28-39(40)47-49-45(31-11-5-3-6-12-31)48-46(50-47)32-13-7-4-8-14-32;1-29-20-23-35-34-16-8-10-18-39(34)50(41(35)26-29)40-24-21-32(33-22-25-43-37(27-33)36-17-9-11-19-42(36)51-43)28-38(40)46-48-44(30-12-4-2-5-13-30)47-45(49-46)31-14-6-3-7-15-31;1-29-20-23-40-36(26-29)34-16-8-10-18-39(34)50(40)41-24-21-32(33-22-25-43-37(27-33)35-17-9-11-19-42(35)51-43)28-38(41)46-48-44(30-12-4-2-5-13-30)47-45(49-46)31-14-6-3-7-15-31/h3-28H,1-2H3;2*2-28H,1H3
InChIKeyMIHQUWAFAJVXNR-UHFFFAOYSA-N
MW1978.35 g/mol
LogP35.84
Rot. Bonds15

About 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole

9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole (PubChem CID 159575146) has the molecular formula C139H92N12O3 and a molecular weight of 1978.35 g/mol. Its IUPAC name is 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole
PubChem CID159575146
Molecular FormulaC139H92N12O3
Molecular Weight1978.35 g/mol
Exact Mass1976.74
IUPAC Name9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc2c3ccc(C)cc3n(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.Cc1ccc2c3ccccc3n(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C47H32N4O.2C46H30N4O/c1-29-17-21-35-36-22-18-30(2)26-42(36)51(41(35)25-29)40-23-19-33(34-20-24-44-38(27-34)37-15-9-10-16-43(37)52-44)28-39(40)47-49-45(31-11-5-3-6-12-31)48-46(50-47)32-13-7-4-8-14-32;1-29-20-23-35-34-16-8-10-18-39(34)50(41(35)26-29)40-24-21-32(33-22-25-43-37(27-33)36-17-9-11-19-42(36)51-43)28-38(40)46-48-44(30-12-4-2-5-13-30)47-45(49-46)31-14-6-3-7-15-31;1-29-20-23-40-36(26-29)34-16-8-10-18-39(34)50(40)41-24-21-32(33-22-25-43-37(27-33)35-17-9-11-19-42(35)51-43)28-38(41)46-48-44(30-12-4-2-5-13-30)47-45(49-46)31-14-6-3-7-15-31/h3-28H,1-2H3;2*2-28H,1H3
InChIKeyMIHQUWAFAJVXNR-UHFFFAOYSA-N
XLogP35.84
TPSA170.22 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms154
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001978.35
LogP ≤ 535.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole?
The IUPAC name of 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole (CID 159575146) is 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole.
What is the SMILES notation for 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole?
The canonical SMILES for 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc2c3ccc(C)cc3n(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.Cc1ccc2c3ccccc3n(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole?
The InChIKey is MIHQUWAFAJVXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4O.2C46H30N4O/c1-29-17-21-35-36-22-18-30(2)26-42(36)51(41(35)25-29)40-23-19-33(34-20-24-44-38(27-34)37-15-9-10-16-43(37)52-44)28-39(40)47-49-45(31-11-5-3-6-12-31)48-46(50-47)32-13-7-4-8-14-32;1-29-20-23-35-34-16-8-10-18-39(34)50(41(35)26-29)40-24-21-32(33-22-25-43-37(27-33)36-17-9-11-19-42(36)51-43)28-38(40)46-48-44(30-12-4-2-5-13-30)47-45(49-46)31-14-6-3-7-15-31;1-29-20-23-40-36(26-29)34-16-8-10-18-39(34)50(40)41-24-21-32(33-22-25-43-37(27-33)35-17-9-11-19-42(35)51-43)28-38(41)46-48-44(30-12-4-2-5-13-30)47-45(49-46)31-14-6-3-7-15-31/h3-28H,1-2H3;2*2-28H,1H3.
What are the key properties of 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole?
9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole has a molecular weight of 1978.35 g/mol, XLogP of 35.84, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole is sourced from PubChem (CID 159575146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).