9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole

C45H28N4O2 — CID 166961329

IUPAC9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(C2N=C(c3ccc4c(c3)oc3ccccc34)N=C(c3cccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c34)N2)cc1
InChIInChI=1S/C45H28N4O2/c1-2-12-27(13-3-1)43-46-44(28-24-25-32-31-16-6-9-22-38(31)50-40(32)26-28)48-45(47-43)34-18-11-23-39-41(34)33-17-10-21-37(42(33)51-39)49-35-19-7-4-14-29(35)30-15-5-8-20-36(30)49/h1-26,43H,(H,46,47,48)
InChIKeyAWMJHPGUYBFHDS-UHFFFAOYSA-N
MW656.75 g/mol
LogP11.08
Rot. Bonds4

About 9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole

9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole (PubChem CID 166961329) has the molecular formula C45H28N4O2 and a molecular weight of 656.75 g/mol. Its IUPAC name is 9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
PubChem CID166961329
Molecular FormulaC45H28N4O2
Molecular Weight656.75 g/mol
Exact Mass656.22
IUPAC Name9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(C2N=C(c3ccc4c(c3)oc3ccccc34)N=C(c3cccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c34)N2)cc1
InChIInChI=1S/C45H28N4O2/c1-2-12-27(13-3-1)43-46-44(28-24-25-32-31-16-6-9-22-38(31)50-40(32)26-28)48-45(47-43)34-18-11-23-39-41(34)33-17-10-21-37(42(33)51-39)49-35-19-7-4-14-29(35)30-15-5-8-20-36(30)49/h1-26,43H,(H,46,47,48)
InChIKeyAWMJHPGUYBFHDS-UHFFFAOYSA-N
XLogP11.08
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.75
LogP ≤ 511.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 167200347
3-[4-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166914794
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
9-[9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 163754260
9-[16-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaen-8-yl]carbazole
CID 146664755
9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
12-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 166668224
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163775017
5-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 166668347
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole
CID 163525091

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole (CID 166961329) is 9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole is c1ccc(C2N=C(c3ccc4c(c3)oc3ccccc34)N=C(c3cccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c34)N2)cc1.
What is the InChIKey of 9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is AWMJHPGUYBFHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O2/c1-2-12-27(13-3-1)43-46-44(28-24-25-32-31-16-6-9-22-38(31)50-40(32)26-28)48-45(47-43)34-18-11-23-39-41(34)33-17-10-21-37(42(33)51-39)49-35-19-7-4-14-29(35)30-15-5-8-20-36(30)49/h1-26,43H,(H,46,47,48).
What are the key properties of 9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole?
9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 656.75 g/mol, XLogP of 11.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 166961329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).