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

C45H26N4O2 — CID 166952688

IUPAC9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)n2)cc1
InChIInChI=1S/C45H26N4O2/c1-2-12-27(13-3-1)43-46-44(28-24-25-32-31-16-6-9-23-39(31)50-40(32)26-28)48-45(47-43)35-19-10-17-33-34-18-11-22-38(42(34)51-41(33)35)49-36-20-7-4-14-29(36)30-15-5-8-21-37(30)49/h1-26H
InChIKeySBYQOVKAQUVAIG-UHFFFAOYSA-N
MW654.73 g/mol
LogP11.77
Rot. Bonds4

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

9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole (PubChem CID 166952688) has the molecular formula C45H26N4O2 and a molecular weight of 654.73 g/mol. Its IUPAC name is 9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
PubChem CID166952688
Molecular FormulaC45H26N4O2
Molecular Weight654.73 g/mol
Exact Mass654.21
IUPAC Name9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)n2)cc1
InChIInChI=1S/C45H26N4O2/c1-2-12-27(13-3-1)43-46-44(28-24-25-32-31-16-6-9-23-39(31)50-40(32)26-28)48-45(47-43)35-19-10-17-33-34-18-11-22-38(42(34)51-41(33)35)49-36-20-7-4-14-29(36)30-15-5-8-21-37(30)49/h1-26H
InChIKeySBYQOVKAQUVAIG-UHFFFAOYSA-N
XLogP11.77
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.73
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 169010985
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
9-[2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 170192949
9-[2-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147508065
9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[7-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;9-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;9-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole;9-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 157209858
9-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 165108667
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-1-yl]carbazole
CID 163981624
4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146335946
9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 176607555
9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534619

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole (CID 166952688) is 9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)n2)cc1.
What is the InChIKey of 9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is SBYQOVKAQUVAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4O2/c1-2-12-27(13-3-1)43-46-44(28-24-25-32-31-16-6-9-23-39(31)50-40(32)26-28)48-45(47-43)35-19-10-17-33-34-18-11-22-38(42(34)51-41(33)35)49-36-20-7-4-14-29(36)30-15-5-8-21-37(30)49/h1-26H.
What are the key properties of 9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 654.73 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 166952688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).