3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole

C57H35N5O — CID 118507599

IUPAC3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7n(-c7ccccc7)c6c4n5-c4ccccc4)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C57H35N5O/c1-5-17-36(18-6-1)55-58-56(37-19-7-2-8-20-37)60-57(59-55)46-33-30-41(54-51(46)45-26-14-16-28-50(45)63-54)38-29-34-49-47(35-38)44-32-31-43-42-25-13-15-27-48(42)61(39-21-9-3-10-22-39)52(43)53(44)62(49)40-23-11-4-12-24-40/h1-35H
InChIKeyWPYYVVFXHMYTAZ-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.63
Rot. Bonds6

About 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole

3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole (PubChem CID 118507599) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole
PubChem CID118507599
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC Name3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7n(-c7ccccc7)c6c4n5-c4ccccc4)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C57H35N5O/c1-5-17-36(18-6-1)55-58-56(37-19-7-2-8-20-37)60-57(59-55)46-33-30-41(54-51(46)45-26-14-16-28-50(45)63-54)38-29-34-49-47(35-38)44-32-31-43-42-25-13-15-27-48(42)61(39-21-9-3-10-22-39)52(43)53(44)62(49)40-23-11-4-12-24-40/h1-35H
InChIKeyWPYYVVFXHMYTAZ-UHFFFAOYSA-N
XLogP14.63
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 168721837
3-[1-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 118507596
1-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768360
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 146300876
9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 164849997
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
27-phenyl-18-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155158657
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
12-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazole
CID 155158723
15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 140957626
9-phenyl-3-[9-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 168768735
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9-phenylcarbazole
CID 154602054

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole?
The IUPAC name of 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole (CID 118507599) is 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole.
What is the SMILES notation for 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole?
The canonical SMILES for 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7n(-c7ccccc7)c6c4n5-c4ccccc4)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole?
The InChIKey is WPYYVVFXHMYTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-5-17-36(18-6-1)55-58-56(37-19-7-2-8-20-37)60-57(59-55)46-33-30-41(54-51(46)45-26-14-16-28-50(45)63-54)38-29-34-49-47(35-38)44-32-31-43-42-25-13-15-27-48(42)61(39-21-9-3-10-22-39)52(43)53(44)62(49)40-23-11-4-12-24-40/h1-35H.
What are the key properties of 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole?
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole has a molecular weight of 805.94 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole is sourced from PubChem (CID 118507599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).