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

C140H100N10O3 — CID 158582109

IUPAC9-[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
SMILESC.C.C.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5oc43)n2)cc1
InChIInChI=1S/C54H35N3O.C53H34N4O.C30H19N3O.3CH4/c1-5-16-36(17-6-1)43-31-44(37-18-7-2-8-19-37)33-45(32-43)41-25-15-24-40(30-41)42-28-29-50-47(34-42)52-46-26-13-14-27-51(46)58-53(52)57(50)54-55-48(38-20-9-3-10-21-38)35-49(56-54)39-22-11-4-12-23-39;1-5-16-35(17-6-1)42-31-43(36-18-7-2-8-19-36)33-44(32-42)40-25-15-24-39(30-40)41-28-29-47-46(34-41)49-45-26-13-14-27-48(45)58-52(49)57(47)53-55-50(37-20-9-3-10-21-37)54-51(56-53)38-22-11-4-12-23-38;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;;;/h1-35H;1-34H;1-19H;3*1H4
InChIKeyHTJLVSYXUVGCEG-UHFFFAOYSA-N
MW1970.41 g/mol
LogP37.60
Rot. Bonds17

About 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

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 (PubChem CID 158582109) has the molecular formula C140H100N10O3 and a molecular weight of 1970.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID158582109
Molecular FormulaC140H100N10O3
Molecular Weight1970.41 g/mol
Exact Mass1968.80
IUPAC Name9-[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
SMILESC.C.C.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5oc43)n2)cc1
InChIInChI=1S/C54H35N3O.C53H34N4O.C30H19N3O.3CH4/c1-5-16-36(17-6-1)43-31-44(37-18-7-2-8-19-37)33-45(32-43)41-25-15-24-40(30-41)42-28-29-50-47(34-42)52-46-26-13-14-27-51(46)58-53(52)57(50)54-55-48(38-20-9-3-10-21-38)35-49(56-54)39-22-11-4-12-23-39;1-5-16-35(17-6-1)42-31-43(36-18-7-2-8-19-36)33-44(32-42)40-25-15-24-39(30-40)41-28-29-47-46(34-41)49-45-26-13-14-27-48(45)58-52(49)57(47)53-55-50(37-20-9-3-10-21-37)54-51(56-53)38-22-11-4-12-23-38;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;;;/h1-35H;1-34H;1-19H;3*1H4
InChIKeyHTJLVSYXUVGCEG-UHFFFAOYSA-N
XLogP37.60
TPSA144.44 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001970.41
LogP ≤ 537.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole
CID 130327501
N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;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
CID 159691682
6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]indole
CID 118488614
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
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
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-(4,6-diphenylpyrimidin-2-yl)-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 129292130
3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219
9-(4-dibenzofuran-2-ylphenyl)-3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159961245
25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene
CID 129142368
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 154978544
3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167293093

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5oc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is HTJLVSYXUVGCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O.C53H34N4O.C30H19N3O.3CH4/c1-5-16-36(17-6-1)43-31-44(37-18-7-2-8-19-37)33-45(32-43)41-25-15-24-40(30-41)42-28-29-50-47(34-42)52-46-26-13-14-27-51(46)58-53(52)57(50)54-55-48(38-20-9-3-10-21-38)35-49(56-54)39-22-11-4-12-23-39;1-5-16-35(17-6-1)42-31-43(36-18-7-2-8-19-36)33-44(32-42)40-25-15-24-39(30-40)41-28-29-47-46(34-41)49-45-26-13-14-27-48(45)58-52(49)57(47)53-55-50(37-20-9-3-10-21-37)54-51(56-53)38-22-11-4-12-23-38;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;;;/h1-35H;1-34H;1-19H;3*1H4.
What are the key properties of 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?
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 has a molecular weight of 1970.41 g/mol, XLogP of 37.60, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158582109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).