2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole

C49H34N4O2 — CID 167001435

IUPAC2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
SMILESCCCCc1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4c3)cc12
InChIInChI=1S/C49H34N4O2/c1-2-3-12-30-21-24-36-39-28-32(23-26-43(39)55-45(36)27-30)33-22-25-35-34-15-7-9-18-40(34)53(41(35)29-33)49-51-47(31-13-5-4-6-14-31)50-48(52-49)38-17-11-20-44-46(38)37-16-8-10-19-42(37)54-44/h4-11,13-29H,2-3,12H2,1H3
InChIKeyLAORTJAIBLOHSX-UHFFFAOYSA-N
MW710.84 g/mol
LogP13.11
Rot. Bonds7

About 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole

2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 167001435) has the molecular formula C49H34N4O2 and a molecular weight of 710.84 g/mol. Its IUPAC name is 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID167001435
Molecular FormulaC49H34N4O2
Molecular Weight710.84 g/mol
Exact Mass710.27
IUPAC Name2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
SMILESCCCCc1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4c3)cc12
InChIInChI=1S/C49H34N4O2/c1-2-3-12-30-21-24-36-39-28-32(23-26-43(39)55-45(36)27-30)33-22-25-35-34-15-7-9-18-40(34)53(41(35)29-33)49-51-47(31-13-5-4-6-14-31)50-48(52-49)38-17-11-20-44-46(38)37-16-8-10-19-42(37)54-44/h4-11,13-29H,2-3,12H2,1H3
InChIKeyLAORTJAIBLOHSX-UHFFFAOYSA-N
XLogP13.11
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.84
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167001586
2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167001587
2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 167001737
2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167001647
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 155050536
9-[4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358091
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole
CID 142377731
2-(7-butyldibenzofuran-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167001548
2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 167001428
11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
CID 130327477
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
9-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 159381403

Frequently Asked Questions

What is the IUPAC name of 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (CID 167001435) is 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is CCCCc1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4c3)cc12.
What is the InChIKey of 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is LAORTJAIBLOHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4O2/c1-2-3-12-30-21-24-36-39-28-32(23-26-43(39)55-45(36)27-30)33-22-25-35-34-15-7-9-18-40(34)53(41(35)29-33)49-51-47(31-13-5-4-6-14-31)50-48(52-49)38-17-11-20-44-46(38)37-16-8-10-19-42(37)54-44/h4-11,13-29H,2-3,12H2,1H3.
What are the key properties of 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 710.84 g/mol, XLogP of 13.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 167001435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).