11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane

C125H83N9O3 — CID 164974708

IUPAC11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane
SMILESC.c1ccc(-c2cc(-c3ccc(-c4c5cc(-c6ccc7ccccc7c6)ccc5n5c4oc4ccccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c(-c2ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc2)c2oc4ccccc4n23)cc1
InChIInChI=1S/C46H29N3O.C42H27N3O.C36H23N3O.CH4/c1-3-12-31(13-4-1)39-29-40(48-45(47-39)34-14-5-2-6-15-34)32-20-22-33(23-21-32)44-38-28-37(36-24-19-30-11-7-8-16-35(30)27-36)25-26-41(38)49-42-17-9-10-18-43(42)50-46(44)49;1-4-12-28(13-5-1)33-24-25-37-34(26-33)40(42-45(37)38-18-10-11-19-39(38)46-42)31-22-20-30(21-23-31)36-27-35(29-14-6-2-7-15-29)43-41(44-36)32-16-8-3-9-17-32;1-3-11-24(12-4-1)29-23-30(38-35(37-29)27-13-5-2-6-14-27)25-19-21-26(22-20-25)34-28-15-7-8-16-31(28)39-32-17-9-10-18-33(32)40-36(34)39;/h1-29H;1-27H;1-23H;1H4
InChIKeyDPNRFXOLWQVODI-UHFFFAOYSA-N
MW1759.10 g/mol
LogP33.01
Rot. Bonds14

About 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane

11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane (PubChem CID 164974708) has the molecular formula C125H83N9O3 and a molecular weight of 1759.10 g/mol. Its IUPAC name is 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane.

Molecular Properties

Compound Name11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane
PubChem CID164974708
Molecular FormulaC125H83N9O3
Molecular Weight1759.10 g/mol
Exact Mass1757.66
IUPAC Name11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane
SMILESC.c1ccc(-c2cc(-c3ccc(-c4c5cc(-c6ccc7ccccc7c6)ccc5n5c4oc4ccccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c(-c2ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc2)c2oc4ccccc4n23)cc1
InChIInChI=1S/C46H29N3O.C42H27N3O.C36H23N3O.CH4/c1-3-12-31(13-4-1)39-29-40(48-45(47-39)34-14-5-2-6-15-34)32-20-22-33(23-21-32)44-38-28-37(36-24-19-30-11-7-8-16-35(30)27-36)25-26-41(38)49-42-17-9-10-18-43(42)50-46(44)49;1-4-12-28(13-5-1)33-24-25-37-34(26-33)40(42-45(37)38-18-10-11-19-39(38)46-42)31-22-20-30(21-23-31)36-27-35(29-14-6-2-7-15-29)43-41(44-36)32-16-8-3-9-17-32;1-3-11-24(12-4-1)29-23-30(38-35(37-29)27-13-5-2-6-14-27)25-19-21-26(22-20-25)34-28-15-7-8-16-31(28)39-32-17-9-10-18-33(32)40-36(34)39;/h1-29H;1-27H;1-23H;1H4
InChIKeyDPNRFXOLWQVODI-UHFFFAOYSA-N
XLogP33.01
TPSA129.99 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001759.10
LogP ≤ 533.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane with MolForge

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Related Compounds

11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 164782486
11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 164782309
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole
CID 163856374
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 171583004
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-2-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583020
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)-5-naphthalen-2-ylphenyl]carbazole
CID 169016925
2-dibenzofuran-3-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465791
10-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782315
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465
2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613642
9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole
CID 58527038

Frequently Asked Questions

What is the IUPAC name of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane?
The IUPAC name of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane (CID 164974708) is 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane.
What is the SMILES notation for 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane?
The canonical SMILES for 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane is C.c1ccc(-c2cc(-c3ccc(-c4c5cc(-c6ccc7ccccc7c6)ccc5n5c4oc4ccccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c(-c2ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc2)c2oc4ccccc4n23)cc1.
What is the InChIKey of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane?
The InChIKey is DPNRFXOLWQVODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O.C42H27N3O.C36H23N3O.CH4/c1-3-12-31(13-4-1)39-29-40(48-45(47-39)34-14-5-2-6-15-34)32-20-22-33(23-21-32)44-38-28-37(36-24-19-30-11-7-8-16-35(30)27-36)25-26-41(38)49-42-17-9-10-18-43(42)50-46(44)49;1-4-12-28(13-5-1)33-24-25-37-34(26-33)40(42-45(37)38-18-10-11-19-39(38)46-42)31-22-20-30(21-23-31)36-27-35(29-14-6-2-7-15-29)43-41(44-36)32-16-8-3-9-17-32;1-3-11-24(12-4-1)29-23-30(38-35(37-29)27-13-5-2-6-14-27)25-19-21-26(22-20-25)34-28-15-7-8-16-31(28)39-32-17-9-10-18-33(32)40-36(34)39;/h1-29H;1-27H;1-23H;1H4.
What are the key properties of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane?
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane has a molecular weight of 1759.10 g/mol, XLogP of 33.01, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane is sourced from PubChem (CID 164974708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).