5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole

C55H33N5O — CID 167647554

IUPAC5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c6ccccc6c(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cc5c34)n2)cc1
InChIInChI=1S/C55H33N5O/c1-4-17-34(18-5-1)53-56-54(35-19-6-2-7-20-35)58-55(57-53)41-27-16-30-50-51(41)44-32-47(37-23-10-11-26-40(37)52(44)61-50)60-46-29-15-13-25-39(46)43-31-42-38-24-12-14-28-45(38)59(48(42)33-49(43)60)36-21-8-3-9-22-36/h1-33H
InChIKeyLZSWBFULJBLEAY-UHFFFAOYSA-N
MW779.90 g/mol
LogP14.12
Rot. Bonds5

About 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole

5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 167647554) has the molecular formula C55H33N5O and a molecular weight of 779.90 g/mol. Its IUPAC name is 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole
PubChem CID167647554
Molecular FormulaC55H33N5O
Molecular Weight779.90 g/mol
Exact Mass779.27
IUPAC Name5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c6ccccc6c(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cc5c34)n2)cc1
InChIInChI=1S/C55H33N5O/c1-4-17-34(18-5-1)53-56-54(35-19-6-2-7-20-35)58-55(57-53)41-27-16-30-50-51(41)44-32-47(37-23-10-11-26-40(37)52(44)61-50)60-46-29-15-13-25-39(46)43-31-42-38-24-12-14-28-45(38)59(48(42)33-49(43)60)36-21-8-3-9-22-36/h1-33H
InChIKeyLZSWBFULJBLEAY-UHFFFAOYSA-N
XLogP14.12
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.90
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole
CID 167588833
5-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014926
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163456699
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 146300876
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 137496780
5-[3-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014814
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9-phenylcarbazole
CID 154602054
9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155049823
9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 166495909
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole
CID 166496047
1-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163898329
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 163645340

Frequently Asked Questions

What is the IUPAC name of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole (CID 167647554) is 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c6ccccc6c(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cc5c34)n2)cc1.
What is the InChIKey of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is LZSWBFULJBLEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5O/c1-4-17-34(18-5-1)53-56-54(35-19-6-2-7-20-35)58-55(57-53)41-27-16-30-50-51(41)44-32-47(37-23-10-11-26-40(37)52(44)61-50)60-46-29-15-13-25-39(46)43-31-42-38-24-12-14-28-45(38)59(48(42)33-49(43)60)36-21-8-3-9-22-36/h1-33H.
What are the key properties of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole?
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 779.90 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 167647554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).