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

C49H36N4O — CID 167001587

IUPAC2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCCCCc1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5n(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)cc12
InChIInChI=1S/C49H36N4O/c1-2-3-14-32-23-26-39-41-30-35(25-28-45(41)54-46(39)29-32)36-24-27-38-37-19-10-12-21-42(37)53(44(38)31-36)43-22-13-11-20-40(43)49-51-47(33-15-6-4-7-16-33)50-48(52-49)34-17-8-5-9-18-34/h4-13,15-31H,2-3,14H2,1H3
InChIKeyGVKHBDUIUGNSRZ-UHFFFAOYSA-N
MW696.85 g/mol
LogP12.88
Rot. Bonds8

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

2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 167001587) has the molecular formula C49H36N4O and a molecular weight of 696.85 g/mol. Its IUPAC name is 2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID167001587
Molecular FormulaC49H36N4O
Molecular Weight696.85 g/mol
Exact Mass696.29
IUPAC Name2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCCCCc1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5n(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)cc12
InChIInChI=1S/C49H36N4O/c1-2-3-14-32-23-26-39-41-30-35(25-28-45(41)54-46(39)29-32)36-24-27-38-37-19-10-12-21-42(37)53(44(38)31-36)43-22-13-11-20-40(43)49-51-47(33-15-6-4-7-16-33)50-48(52-49)34-17-8-5-9-18-34/h4-13,15-31H,2-3,14H2,1H3
InChIKeyGVKHBDUIUGNSRZ-UHFFFAOYSA-N
XLogP12.88
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.85
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167001647
2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 167001435
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-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 167001737
3-dibenzofuran-3-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 165007385
2-(7-butyldibenzofuran-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167001548
12-[2-[4-(4-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166953804
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 155232861
11-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 164932870
5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542552
9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole
CID 171052174

Frequently Asked Questions

What is the IUPAC name of 2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 167001587) is 2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is CCCCc1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5n(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)cc12.
What is the InChIKey of 2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is GVKHBDUIUGNSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N4O/c1-2-3-14-32-23-26-39-41-30-35(25-28-45(41)54-46(39)29-32)36-24-27-38-37-19-10-12-21-42(37)53(44(38)31-36)43-22-13-11-20-40(43)49-51-47(33-15-6-4-7-16-33)50-48(52-49)34-17-8-5-9-18-34/h4-13,15-31H,2-3,14H2,1H3.
What are the key properties of 2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 696.85 g/mol, XLogP of 12.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 167001587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).