3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole

C57H35N5O — CID 171591577

IUPAC3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c6oc7c(-n8c9ccccc9c9cccc(-c%10ccccc%10)c98)cccc7c6ccc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C57H35N5O/c1-5-17-36(18-6-1)41-26-15-27-43-42-25-13-14-29-47(42)62(52(41)43)49-30-16-28-44-45-33-34-48-51(54(45)63-53(44)49)46-32-31-39(35-50(46)61(48)40-23-11-4-12-24-40)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H
InChIKeyPRHJIMATQAWWNK-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.63
Rot. Bonds6

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 171591577) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID171591577
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c6oc7c(-n8c9ccccc9c9cccc(-c%10ccccc%10)c98)cccc7c6ccc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C57H35N5O/c1-5-17-36(18-6-1)41-26-15-27-43-42-25-13-14-29-47(42)62(52(41)43)49-30-16-28-44-45-33-34-48-51(54(45)63-53(44)49)46-32-31-39(35-50(46)61(48)40-23-11-4-12-24-40)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H
InChIKeyPRHJIMATQAWWNK-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

10-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 171591828
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541205
11-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 153459569
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;9-[2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162138732
12-phenyl-5-[4-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169014994
10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171591825
9-phenyl-1-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-2-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-3-[4-phenyl-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 160729855
12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole
CID 164707749
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-c]carbazole
CID 163831649
5-phenyl-12-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169014966
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 171591537
12-phenyl-18-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701623

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole (CID 171591577) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c6oc7c(-n8c9ccccc9c9cccc(-c%10ccccc%10)c98)cccc7c6ccc5n(-c5ccccc5)c4c3)n2)cc1.
What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is PRHJIMATQAWWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-5-17-36(18-6-1)41-26-15-27-43-42-25-13-14-29-47(42)62(52(41)43)49-30-16-28-44-45-33-34-48-51(54(45)63-53(44)49)46-32-31-39(35-50(46)61(48)40-23-11-4-12-24-40)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 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole?
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(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 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 171591577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).