12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene

C283H188N12O13S — CID 159653713

IUPAC12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene
SMILESO=S1(=O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)nc3)cc2)cc1.c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)cn3)cc2)cc1.c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)nc3)cc2)cc1.c1ccc(-c2ccc(-c3nc4cc5oc(-c6ccc(-c7ccccc7)cc6)nc5cc4o3)cc2)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)cc1.c1ccc(-c2ccc(C3=Nc4cc5nc(-c6ccc(-c7ccccc7)cc6)[nH]c5cc4C3)cc2)cc1.c1ccc2c(c1)Cc1cc3ccccc3cc1O2.c1ccc2cc3c(cc2c1)Oc1cc2ccccc2cc1O3.c1ccc2cc3c(cc2c1)oc1cc2ccccc2cc13.c1ccc2cc3oc4cc5oc6cc7ccccc7cc6oc5cc4oc3cc2c1
InChIInChI=1S/C33H23N3.C32H20N2O2.C29H21N.2C28H20N2.C26H18N2O.C26H14O4.C24H16O2S.C20H12O2.C20H12O.C17H12O/c1-3-7-22(8-4-1)24-11-15-26(16-12-24)29-19-28-20-31-32(21-30(28)34-29)36-33(35-31)27-17-13-25(14-18-27)23-9-5-2-6-10-23;1-3-7-21(8-4-1)23-11-15-25(16-12-23)31-33-27-19-30-28(20-29(27)35-31)34-32(36-30)26-17-13-24(14-18-26)22-9-5-2-6-10-22;1-3-7-22(8-4-1)24-11-13-26(14-12-24)28-19-20-29(30-21-28)27-17-15-25(16-18-27)23-9-5-2-6-10-23;1-3-7-21(8-4-1)23-11-15-25(16-12-23)27-19-30-28(20-29-27)26-17-13-24(14-18-26)22-9-5-2-6-10-22;1-3-7-21(8-4-1)23-11-13-25(14-12-23)27-19-29-28(30-20-27)26-17-15-24(16-18-26)22-9-5-2-6-10-22;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20;1-2-6-16-10-20-19(9-15(16)5-1)27-23-13-25-26(14-24(23)28-20)30-22-12-18-8-4-3-7-17(18)11-21(22)29-25;25-27(26)23-15-19(17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)27)18-9-5-2-6-10-18;1-2-6-14-10-18-17(9-13(14)5-1)21-19-11-15-7-3-4-8-16(15)12-20(19)22-18;1-3-7-15-11-19-17(9-13(15)5-1)18-10-14-6-2-4-8-16(14)12-20(18)21-19;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)18-17/h1-18,20-21H,19H2,(H,35,36);1-20H;1-21H;2*1-20H;1-18H;1-14H;1-16H;1-12H;1-12H;1-9,11H,10H2
InChIKeyMRXCOMMESVILKV-UHFFFAOYSA-N
MW3996.75 g/mol
LogP75.91
Rot. Bonds26

About 12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene

12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene (PubChem CID 159653713) has the molecular formula C283H188N12O13S and a molecular weight of 3996.75 g/mol. Its IUPAC name is 12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene.

Molecular Properties

Compound Name12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene
PubChem CID159653713
Molecular FormulaC283H188N12O13S
Molecular Weight3996.75 g/mol
Exact Mass3993.41
IUPAC Name12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene
SMILESO=S1(=O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)nc3)cc2)cc1.c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)cn3)cc2)cc1.c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)nc3)cc2)cc1.c1ccc(-c2ccc(-c3nc4cc5oc(-c6ccc(-c7ccccc7)cc6)nc5cc4o3)cc2)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)cc1.c1ccc(-c2ccc(C3=Nc4cc5nc(-c6ccc(-c7ccccc7)cc6)[nH]c5cc4C3)cc2)cc1.c1ccc2c(c1)Cc1cc3ccccc3cc1O2.c1ccc2cc3c(cc2c1)Oc1cc2ccccc2cc1O3.c1ccc2cc3c(cc2c1)oc1cc2ccccc2cc13.c1ccc2cc3oc4cc5oc6cc7ccccc7cc6oc5cc4oc3cc2c1
InChIInChI=1S/C33H23N3.C32H20N2O2.C29H21N.2C28H20N2.C26H18N2O.C26H14O4.C24H16O2S.C20H12O2.C20H12O.C17H12O/c1-3-7-22(8-4-1)24-11-15-26(16-12-24)29-19-28-20-31-32(21-30(28)34-29)36-33(35-31)27-17-13-25(14-18-27)23-9-5-2-6-10-23;1-3-7-21(8-4-1)23-11-15-25(16-12-23)31-33-27-19-30-28(20-29(27)35-31)34-32(36-30)26-17-13-24(14-18-26)22-9-5-2-6-10-22;1-3-7-22(8-4-1)24-11-13-26(14-12-24)28-19-20-29(30-21-28)27-17-15-25(16-18-27)23-9-5-2-6-10-23;1-3-7-21(8-4-1)23-11-15-25(16-12-23)27-19-30-28(20-29-27)26-17-13-24(14-18-26)22-9-5-2-6-10-22;1-3-7-21(8-4-1)23-11-13-25(14-12-23)27-19-29-28(30-20-27)26-17-15-24(16-18-26)22-9-5-2-6-10-22;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20;1-2-6-16-10-20-19(9-15(16)5-1)27-23-13-25-26(14-24(23)28-20)30-22-12-18-8-4-3-7-17(18)11-21(22)29-25;25-27(26)23-15-19(17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)27)18-9-5-2-6-10-18;1-2-6-14-10-18-17(9-13(14)5-1)21-19-11-15-7-3-4-8-16(15)12-20(19)22-18;1-3-7-15-11-19-17(9-13(15)5-1)18-10-14-6-2-4-8-16(14)12-20(18)21-19;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)18-17/h1-18,20-21H,19H2,(H,35,36);1-20H;1-21H;2*1-20H;1-18H;1-14H;1-16H;1-12H;1-12H;1-9,11H,10H2
InChIKeyMRXCOMMESVILKV-UHFFFAOYSA-N
XLogP75.91
TPSA324.00 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms309
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003996.75
LogP ≤ 575.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene?
The IUPAC name of 12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene (CID 159653713) is 12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene.
What is the SMILES notation for 12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene?
The canonical SMILES for 12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene is O=S1(=O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)nc3)cc2)cc1.c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)cn3)cc2)cc1.c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)nc3)cc2)cc1.c1ccc(-c2ccc(-c3nc4cc5oc(-c6ccc(-c7ccccc7)cc6)nc5cc4o3)cc2)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)cc1.c1ccc(-c2ccc(C3=Nc4cc5nc(-c6ccc(-c7ccccc7)cc6)[nH]c5cc4C3)cc2)cc1.c1ccc2c(c1)Cc1cc3ccccc3cc1O2.c1ccc2cc3c(cc2c1)Oc1cc2ccccc2cc1O3.c1ccc2cc3c(cc2c1)oc1cc2ccccc2cc13.c1ccc2cc3oc4cc5oc6cc7ccccc7cc6oc5cc4oc3cc2c1.
What is the InChIKey of 12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene?
The InChIKey is MRXCOMMESVILKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3.C32H20N2O2.C29H21N.2C28H20N2.C26H18N2O.C26H14O4.C24H16O2S.C20H12O2.C20H12O.C17H12O/c1-3-7-22(8-4-1)24-11-15-26(16-12-24)29-19-28-20-31-32(21-30(28)34-29)36-33(35-31)27-17-13-25(14-18-27)23-9-5-2-6-10-23;1-3-7-21(8-4-1)23-11-15-25(16-12-23)31-33-27-19-30-28(20-29(27)35-31)34-32(36-30)26-17-13-24(14-18-26)22-9-5-2-6-10-22;1-3-7-22(8-4-1)24-11-13-26(14-12-24)28-19-20-29(30-21-28)27-17-15-25(16-18-27)23-9-5-2-6-10-23;1-3-7-21(8-4-1)23-11-15-25(16-12-23)27-19-30-28(20-29-27)26-17-13-24(14-18-26)22-9-5-2-6-10-22;1-3-7-21(8-4-1)23-11-13-25(14-12-23)27-19-29-28(30-20-27)26-17-15-24(16-18-26)22-9-5-2-6-10-22;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20;1-2-6-16-10-20-19(9-15(16)5-1)27-23-13-25-26(14-24(23)28-20)30-22-12-18-8-4-3-7-17(18)11-21(22)29-25;25-27(26)23-15-19(17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)27)18-9-5-2-6-10-18;1-2-6-14-10-18-17(9-13(14)5-1)21-19-11-15-7-3-4-8-16(15)12-20(19)22-18;1-3-7-15-11-19-17(9-13(15)5-1)18-10-14-6-2-4-8-16(14)12-20(18)21-19;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)18-17/h1-18,20-21H,19H2,(H,35,36);1-20H;1-21H;2*1-20H;1-18H;1-14H;1-16H;1-12H;1-12H;1-9,11H,10H2.
What are the key properties of 12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene?
12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene has a molecular weight of 3996.75 g/mol, XLogP of 75.91, 26 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 12H-benzo[b]xanthene;2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;2,13-dioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;3,7-diphenyldibenzothiophene 5,5-dioxide;12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,15,19,30-tetraoxaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(18),2,5,7,9,11,13,16,20,22,24,26,28-tridecaene is sourced from PubChem (CID 159653713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).