10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine

C131H92N8O2 — CID 157213372

IUPAC10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cccc(-c4cccc(N5c6ccccc6C(C)(C)c6ccccc65)c4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc(-n4ccc5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c3)c2)cc1
InChIInChI=1S/C46H29N3O.C44H36N4.C41H27NO/c1-2-11-31(12-3-1)41-29-42(38-17-8-13-30-10-4-5-14-36(30)38)48-46(47-41)32-20-23-35(24-21-32)49-27-26-34-28-33(22-25-43(34)49)37-16-9-18-40-39-15-6-7-19-44(39)50-45(37)40;1-29-19-23-31(24-20-29)41-45-42(32-25-21-30(2)22-26-32)47-43(46-41)35-13-9-11-33(27-35)34-12-10-14-36(28-34)48-39-17-7-5-15-37(39)44(3,4)38-16-6-8-18-40(38)48;1-3-11-28(12-4-1)35-25-38(29-13-5-2-6-14-29)42-39(26-35)34-18-10-17-32(24-34)30-15-9-16-31(23-30)33-21-22-37-36-19-7-8-20-40(36)43-41(37)27-33/h1-29H;5-28H,1-4H3;1-27H
InChIKeyASDHSRKEYJKIEH-UHFFFAOYSA-N
MW1810.23 g/mol
LogP34.72
Rot. Bonds15

About 10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine

10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine (PubChem CID 157213372) has the molecular formula C131H92N8O2 and a molecular weight of 1810.23 g/mol. Its IUPAC name is 10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine
PubChem CID157213372
Molecular FormulaC131H92N8O2
Molecular Weight1810.23 g/mol
Exact Mass1808.73
IUPAC Name10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cccc(-c4cccc(N5c6ccccc6C(C)(C)c6ccccc65)c4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc(-n4ccc5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c3)c2)cc1
InChIInChI=1S/C46H29N3O.C44H36N4.C41H27NO/c1-2-11-31(12-3-1)41-29-42(38-17-8-13-30-10-4-5-14-36(30)38)48-46(47-41)32-20-23-35(24-21-32)49-27-26-34-28-33(22-25-43(34)49)37-16-9-18-40-39-15-6-7-19-44(39)50-45(37)40;1-29-19-23-31(24-20-29)41-45-42(32-25-21-30(2)22-26-32)47-43(46-41)35-13-9-11-33(27-35)34-12-10-14-36(28-34)48-39-17-7-5-15-37(39)44(3,4)38-16-6-8-18-40(38)48;1-3-11-28(12-4-1)35-25-38(29-13-5-2-6-14-29)42-39(26-35)34-18-10-17-32(24-34)30-15-9-16-31(23-30)33-21-22-37-36-19-7-8-20-40(36)43-41(37)27-33/h1-29H;5-28H,1-4H3;1-27H
InChIKeyASDHSRKEYJKIEH-UHFFFAOYSA-N
XLogP34.72
TPSA111.79 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001810.23
LogP ≤ 534.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine?
The IUPAC name of 10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine (CID 157213372) is 10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine?
The canonical SMILES for 10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cccc(-c4cccc(N5c6ccccc6C(C)(C)c6ccccc65)c4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc(-n4ccc5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c3)c2)cc1.
What is the InChIKey of 10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine?
The InChIKey is ASDHSRKEYJKIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O.C44H36N4.C41H27NO/c1-2-11-31(12-3-1)41-29-42(38-17-8-13-30-10-4-5-14-36(30)38)48-46(47-41)32-20-23-35(24-21-32)49-27-26-34-28-33(22-25-43(34)49)37-16-9-18-40-39-15-6-7-19-44(39)50-45(37)40;1-29-19-23-31(24-20-29)41-45-42(32-25-21-30(2)22-26-32)47-43(46-41)35-13-9-11-33(27-35)34-12-10-14-36(28-34)48-39-17-7-5-15-37(39)44(3,4)38-16-6-8-18-40(38)48;1-3-11-28(12-4-1)35-25-38(29-13-5-2-6-14-29)42-39(26-35)34-18-10-17-32(24-34)30-15-9-16-31(23-30)33-21-22-37-36-19-7-8-20-40(36)43-41(37)27-33/h1-29H;5-28H,1-4H3;1-27H.
What are the key properties of 10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine?
10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine has a molecular weight of 1810.23 g/mol, XLogP of 34.72, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylacridine;5-dibenzofuran-4-yl-1-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indole;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 157213372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).