6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide

C153H98N15O4P — CID 157342129

IUPAC6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2c1n(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c1ccccc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c6ccccc6oc54)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5oc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5oc43)n2)cc1
InChIInChI=1S/C53H34N4O.C41H27N4OP.C30H19N3O.C29H18N4O/c1-5-17-35(18-6-1)39-29-40(36-19-7-2-8-20-36)32-43(31-39)50-54-51(44-33-41(37-21-9-3-10-22-37)30-42(34-44)38-23-11-4-12-24-38)56-53(55-50)57-47-27-15-13-25-45(47)49-46-26-14-16-28-48(46)58-52(49)57;46-47(32-21-8-3-9-22-32)36-26-13-11-24-34(36)37-33-23-10-12-25-35(33)45(41(37)47)31-20-14-19-30(27-31)40-43-38(28-15-4-1-5-16-28)42-39(44-40)29-17-6-2-7-18-29;1-3-11-20(12-4-1)24-19-25(21-13-5-2-6-14-21)32-30(31-24)33-26-17-9-7-15-22(26)28-23-16-8-10-18-27(23)34-29(28)33;1-3-11-19(12-4-1)26-30-27(20-13-5-2-6-14-20)32-29(31-26)33-23-17-9-7-15-21(23)25-22-16-8-10-18-24(22)34-28(25)33/h1-34H;1-27H;1-19H;1-18H
InChIKeyBGNCWMMFAAWIGG-UHFFFAOYSA-N
MW2241.54 g/mol
LogP36.86
Rot. Bonds18

About 6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide

6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide (PubChem CID 157342129) has the molecular formula C153H98N15O4P and a molecular weight of 2241.54 g/mol. Its IUPAC name is 6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide.

Molecular Properties

Compound Name6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide
PubChem CID157342129
Molecular FormulaC153H98N15O4P
Molecular Weight2241.54 g/mol
Exact Mass2239.77
IUPAC Name6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2c1n(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c1ccccc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c6ccccc6oc54)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5oc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5oc43)n2)cc1
InChIInChI=1S/C53H34N4O.C41H27N4OP.C30H19N3O.C29H18N4O/c1-5-17-35(18-6-1)39-29-40(36-19-7-2-8-20-36)32-43(31-39)50-54-51(44-33-41(37-21-9-3-10-22-37)30-42(34-44)38-23-11-4-12-24-38)56-53(55-50)57-47-27-15-13-25-45(47)49-46-26-14-16-28-48(46)58-52(49)57;46-47(32-21-8-3-9-22-32)36-26-13-11-24-34(36)37-33-23-10-12-25-35(33)45(41(37)47)31-20-14-19-30(27-31)40-43-38(28-15-4-1-5-16-28)42-39(44-40)29-17-6-2-7-18-29;1-3-11-20(12-4-1)24-19-25(21-13-5-2-6-14-21)32-30(31-24)33-26-17-9-7-15-22(26)28-23-16-8-10-18-27(23)34-29(28)33;1-3-11-19(12-4-1)26-30-27(20-13-5-2-6-14-20)32-29(31-26)33-23-17-9-7-15-21(23)25-22-16-8-10-18-24(22)34-28(25)33/h1-34H;1-27H;1-19H;1-18H
InChIKeyBGNCWMMFAAWIGG-UHFFFAOYSA-N
XLogP36.86
TPSA218.00 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002241.54
LogP ≤ 536.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide with MolForge

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Related Compounds

9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;methane
CID 158582109
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169037518
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166592067
6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]indole
CID 118488614
5-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 161186083
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166592032
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 130327397
9-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]carbazole
CID 158629566
9-(4,6-diphenylpyrimidin-2-yl)-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 129292130
9-(4,6-diphenylpyrimidin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenylpyrimidin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159568405
9-[3-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
CID 167032367

Frequently Asked Questions

What is the IUPAC name of 6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide?
The IUPAC name of 6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide (CID 157342129) is 6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide.
What is the SMILES notation for 6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide?
The canonical SMILES for 6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide is O=P1(c2ccccc2)c2ccccc2-c2c1n(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c1ccccc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c6ccccc6oc54)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5oc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5oc43)n2)cc1.
What is the InChIKey of 6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide?
The InChIKey is BGNCWMMFAAWIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O.C41H27N4OP.C30H19N3O.C29H18N4O/c1-5-17-35(18-6-1)39-29-40(36-19-7-2-8-20-36)32-43(31-39)50-54-51(44-33-41(37-21-9-3-10-22-37)30-42(34-44)38-23-11-4-12-24-38)56-53(55-50)57-47-27-15-13-25-45(47)49-46-26-14-16-28-48(46)58-52(49)57;46-47(32-21-8-3-9-22-32)36-26-13-11-24-34(36)37-33-23-10-12-25-35(33)45(41(37)47)31-20-14-19-30(27-31)40-43-38(28-15-4-1-5-16-28)42-39(44-40)29-17-6-2-7-18-29;1-3-11-20(12-4-1)24-19-25(21-13-5-2-6-14-21)32-30(31-24)33-26-17-9-7-15-22(26)28-23-16-8-10-18-27(23)34-29(28)33;1-3-11-19(12-4-1)26-30-27(20-13-5-2-6-14-20)32-29(31-26)33-23-17-9-7-15-21(23)25-22-16-8-10-18-24(22)34-28(25)33/h1-34H;1-27H;1-19H;1-18H.
What are the key properties of 6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide?
6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide has a molecular weight of 2241.54 g/mol, XLogP of 36.86, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphosphindolo[2,3-b]indole 6-oxide is sourced from PubChem (CID 157342129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).