6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane

C60H43N5O — CID 142569131

IUPAC6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane
SMILESCCC.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c43)n2)cc1
InChIInChI=1S/C57H35N5O.C3H8/c1-3-16-36(17-4-1)55-58-56(37-18-5-2-6-19-37)60-57(59-55)62-51-33-32-40(61-49-29-10-7-22-43(49)44-23-8-11-30-50(44)61)35-48(51)46-27-14-25-41(53(46)62)38-20-13-21-39(34-38)42-26-15-28-47-45-24-9-12-31-52(45)63-54(42)47;1-3-2/h1-35H;3H2,1-2H3
InChIKeyAHLDNHLXROEZNT-UHFFFAOYSA-N
MW850.04 g/mol
LogP16.05
Rot. Bonds6

About 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane

6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane (PubChem CID 142569131) has the molecular formula C60H43N5O and a molecular weight of 850.04 g/mol. Its IUPAC name is 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane.

Molecular Properties

Compound Name6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane
PubChem CID142569131
Molecular FormulaC60H43N5O
Molecular Weight850.04 g/mol
Exact Mass849.35
IUPAC Name6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane
SMILESCCC.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c43)n2)cc1
InChIInChI=1S/C57H35N5O.C3H8/c1-3-16-36(17-4-1)55-58-56(37-18-5-2-6-19-37)60-57(59-55)62-51-33-32-40(61-49-29-10-7-22-43(49)44-23-8-11-30-50(44)61)35-48(51)46-27-14-25-41(53(46)62)38-20-13-21-39(34-38)42-26-15-28-47-45-24-9-12-31-52(45)63-54(42)47;1-3-2/h1-35H;3H2,1-2H3
InChIKeyAHLDNHLXROEZNT-UHFFFAOYSA-N
XLogP16.05
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.04
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane
CID 142568683
6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
CID 142568378
3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147108476
1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
CID 142567985
1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane
CID 142568284
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165583
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165462
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 157053700
12-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163732544
9-(6-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080693
3,8-di(dibenzofuran-4-yl)-11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;hexa-1,3,5-triyne;11-(3-phenylphenyl)-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-(4-phenylphenyl)-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165059111
3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170251153

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane?
The IUPAC name of 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane (CID 142569131) is 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane.
What is the SMILES notation for 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane?
The canonical SMILES for 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane is CCC.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c43)n2)cc1.
What is the InChIKey of 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane?
The InChIKey is AHLDNHLXROEZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O.C3H8/c1-3-16-36(17-4-1)55-58-56(37-18-5-2-6-19-37)60-57(59-55)62-51-33-32-40(61-49-29-10-7-22-43(49)44-23-8-11-30-50(44)61)35-48(51)46-27-14-25-41(53(46)62)38-20-13-21-39(34-38)42-26-15-28-47-45-24-9-12-31-52(45)63-54(42)47;1-3-2/h1-35H;3H2,1-2H3.
What are the key properties of 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane?
6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane has a molecular weight of 850.04 g/mol, XLogP of 16.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;propane is sourced from PubChem (CID 142569131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).