4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole

C57H35N5O — CID 171591444

IUPAC4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5c6oc7ccc(-n8c9ccccc9c9cccc(-c%10ccccc%10)c98)cc7c6ccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C57H35N5O/c1-5-17-36(18-6-1)41-26-15-27-43-42-25-13-14-30-48(42)62(52(41)43)40-31-34-50-47(35-40)44-32-33-49-51(54(44)63-50)45-28-16-29-46(53(45)61(49)39-23-11-4-12-24-39)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H
InChIKeyVWELUROZRHFDFT-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.63
Rot. Bonds6

About 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 171591444) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID171591444
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5c6oc7ccc(-n8c9ccccc9c9cccc(-c%10ccccc%10)c98)cc7c6ccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C57H35N5O/c1-5-17-36(18-6-1)41-26-15-27-43-42-25-13-14-30-48(42)62(52(41)43)40-31-34-50-47(35-40)44-32-33-49-51(54(44)63-50)45-28-16-29-46(53(45)61(49)39-23-11-4-12-24-39)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H
InChIKeyVWELUROZRHFDFT-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

9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080240
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 162699405
9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 171591736
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
12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 169059257
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 134598155
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 118699664
1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 157480548
8-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 153460204
9-(9-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080111
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 170080122
5-[2-[4,6-bis[2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole
CID 159940047

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole (CID 171591444) is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5c6oc7ccc(-n8c9ccccc9c9cccc(-c%10ccccc%10)c98)cc7c6ccc5n(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is VWELUROZRHFDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-5-17-36(18-6-1)41-26-15-27-43-42-25-13-14-30-48(42)62(52(41)43)40-31-34-50-47(35-40)44-32-33-49-51(54(44)63-50)45-28-16-29-46(53(45)61(49)39-23-11-4-12-24-39)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H.
What are the key properties of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole?
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]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 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 171591444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).