9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole

C46H27N5O — CID 169276091

IUPAC9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7cccnc76)ccc45)n3)ccc2c1
InChIInChI=1S/C46H27N5O/c1-3-10-30-24-32(17-15-28(30)8-1)43-48-44(33-18-16-29-9-2-4-11-31(29)25-33)50-45(49-43)34-19-21-37-38-22-20-35(27-42(38)52-41(37)26-34)51-40-14-6-5-12-36(40)39-13-7-23-47-46(39)51/h1-27H
InChIKeyGSSOILRQIWMEGW-UHFFFAOYSA-N
MW665.76 g/mol
LogP11.57
Rot. Bonds4

About 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole

9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole (PubChem CID 169276091) has the molecular formula C46H27N5O and a molecular weight of 665.76 g/mol. Its IUPAC name is 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
PubChem CID169276091
Molecular FormulaC46H27N5O
Molecular Weight665.76 g/mol
Exact Mass665.22
IUPAC Name9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7cccnc76)ccc45)n3)ccc2c1
InChIInChI=1S/C46H27N5O/c1-3-10-30-24-32(17-15-28(30)8-1)43-48-44(33-18-16-29-9-2-4-11-31(29)25-33)50-45(49-43)34-19-21-37-38-22-20-35(27-42(38)52-41(37)26-34)51-40-14-6-5-12-36(40)39-13-7-23-47-46(39)51/h1-27H
InChIKeyGSSOILRQIWMEGW-UHFFFAOYSA-N
XLogP11.57
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.76
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276047
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276097
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole
CID 156577704
9-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 156577807
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
CID 156578035
5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 146491412
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole
CID 156578051
9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335707
9-[4-dibenzofuran-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162504501
9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 146333965
9-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 156577740

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole (CID 169276091) is 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7cccnc76)ccc45)n3)ccc2c1.
What is the InChIKey of 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole?
The InChIKey is GSSOILRQIWMEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5O/c1-3-10-30-24-32(17-15-28(30)8-1)43-48-44(33-18-16-29-9-2-4-11-31(29)25-33)50-45(49-43)34-19-21-37-38-22-20-35(27-42(38)52-41(37)26-34)51-40-14-6-5-12-36(40)39-13-7-23-47-46(39)51/h1-27H.
What are the key properties of 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole?
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole has a molecular weight of 665.76 g/mol, XLogP of 11.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 169276091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).