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

C46H32N4O — CID 134223189

IUPAC9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-3,4-dihydrodibenzofuran-2-yl]carbazole
SMILESCC1C(n2c3ccccc3c3ccccc32)=Cc2c(oc3ccccc23)C1c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C46H32N4O/c1-29-40(50-38-24-11-8-21-34(38)35-22-9-12-25-39(35)50)28-37-36-23-10-13-26-41(36)51-43(37)42(29)32-19-14-20-33(27-32)46-48-44(30-15-4-2-5-16-30)47-45(49-46)31-17-6-3-7-18-31/h2-29,42H,1H3
InChIKeyQEZUAJNSCZACHF-UHFFFAOYSA-N
MW656.79 g/mol
LogP11.51
Rot. Bonds5

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

9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-3,4-dihydrodibenzofuran-2-yl]carbazole (PubChem CID 134223189) has the molecular formula C46H32N4O and a molecular weight of 656.79 g/mol. Its IUPAC name is 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-3,4-dihydrodibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-3,4-dihydrodibenzofuran-2-yl]carbazole
PubChem CID134223189
Molecular FormulaC46H32N4O
Molecular Weight656.79 g/mol
Exact Mass656.26
IUPAC Name9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-3,4-dihydrodibenzofuran-2-yl]carbazole
SMILESCC1C(n2c3ccccc3c3ccccc32)=Cc2c(oc3ccccc23)C1c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C46H32N4O/c1-29-40(50-38-24-11-8-21-34(38)35-22-9-12-25-39(35)50)28-37-36-23-10-13-26-41(36)51-43(37)42(29)32-19-14-20-33(27-32)46-48-44(30-15-4-2-5-16-30)47-45(49-46)31-17-6-3-7-18-31/h2-29,42H,1H3
InChIKeyQEZUAJNSCZACHF-UHFFFAOYSA-N
XLogP11.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-3,4-dihydrodibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-3,4-dihydrodibenzofuran-2-yl]carbazole (CID 134223189) is 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-3,4-dihydrodibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-3,4-dihydrodibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-3,4-dihydrodibenzofuran-2-yl]carbazole is CC1C(n2c3ccccc3c3ccccc32)=Cc2c(oc3ccccc23)C1c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-3,4-dihydrodibenzofuran-2-yl]carbazole?
The InChIKey is QEZUAJNSCZACHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4O/c1-29-40(50-38-24-11-8-21-34(38)35-22-9-12-25-39(35)50)28-37-36-23-10-13-26-41(36)51-43(37)42(29)32-19-14-20-33(27-32)46-48-44(30-15-4-2-5-16-30)47-45(49-46)31-17-6-3-7-18-31/h2-29,42H,1H3.
What are the key properties of 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-3,4-dihydrodibenzofuran-2-yl]carbazole?
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-3,4-dihydrodibenzofuran-2-yl]carbazole has a molecular weight of 656.79 g/mol, XLogP of 11.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-3,4-dihydrodibenzofuran-2-yl]carbazole is sourced from PubChem (CID 134223189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).