4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine

C189H128BBr7N16O10 — CID 163415884

IUPAC4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine
SMILESBrc1ccc(-c2nc3ccccc3c3c2ccc2oc(-c4ccccc4)nc23)cc1.Brc1cccc2oc(-c3ccccc3)nc12.CC1(C)OB(c2ccc(-c3nc4ccccc4c4c3ccc3oc(-c5ccccc5)nc34)cc2)OC1(C)C.Nc1c(Br)cccc1Br.Nc1ccccc1-c1cccc2oc(-c3ccccc3)nc12.O=C(Cc1c(Br)cccc1Br)c1ccccc1.O=C(Nc1ccccc1-c1cccc2oc(-c3ccccc3)nc12)c1ccc(Br)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5c4ccc4oc(-c6ccccc6)nc45)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C53H32N6O.C32H27BN2O3.C26H17BrN2O2.C26H15BrN2O.C19H14N2O.C14H10Br2O.C13H8BrNO.C6H5Br2N/c1-3-14-34(15-4-1)50-56-51(58-52(57-50)37-18-13-19-38(32-37)59-44-24-11-8-20-39(44)40-21-9-12-25-45(40)59)35-28-26-33(27-29-35)48-42-30-31-46-49(47(42)41-22-7-10-23-43(41)54-48)55-53(60-46)36-16-5-2-6-17-36;1-31(2)32(3,4)38-33(37-31)22-16-14-20(15-17-22)28-24-18-19-26-29(27(24)23-12-8-9-13-25(23)34-28)35-30(36-26)21-10-6-5-7-11-21;27-19-15-13-17(14-16-19)25(30)28-22-11-5-4-9-20(22)21-10-6-12-23-24(21)29-26(31-23)18-7-2-1-3-8-18;27-18-12-10-16(11-13-18)24-20-14-15-22-25(23(20)19-8-4-5-9-21(19)28-24)29-26(30-22)17-6-2-1-3-7-17;20-16-11-5-4-9-14(16)15-10-6-12-17-18(15)21-19(22-17)13-7-2-1-3-8-13;15-12-7-4-8-13(16)11(12)9-14(17)10-5-2-1-3-6-10;14-10-7-4-8-11-12(10)15-13(16-11)9-5-2-1-3-6-9;7-4-2-1-3-5(8)6(4)9/h1-32H;5-19H,1-4H3;1-16H,(H,28,30);1-15H;1-12H,20H2;1-8H,9H2;1-8H;1-3H,9H2
InChIKeyAEIUTLMRJGULQN-UHFFFAOYSA-N
MW3353.34 g/mol
LogP51.54
Rot. Bonds21

About 4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine

4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine (PubChem CID 163415884) has the molecular formula C189H128BBr7N16O10 and a molecular weight of 3353.34 g/mol. Its IUPAC name is 4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine.

Molecular Properties

Compound Name4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine
PubChem CID163415884
Molecular FormulaC189H128BBr7N16O10
Molecular Weight3353.34 g/mol
Exact Mass3344.44
IUPAC Name4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine
SMILESBrc1ccc(-c2nc3ccccc3c3c2ccc2oc(-c4ccccc4)nc23)cc1.Brc1cccc2oc(-c3ccccc3)nc12.CC1(C)OB(c2ccc(-c3nc4ccccc4c4c3ccc3oc(-c5ccccc5)nc34)cc2)OC1(C)C.Nc1c(Br)cccc1Br.Nc1ccccc1-c1cccc2oc(-c3ccccc3)nc12.O=C(Cc1c(Br)cccc1Br)c1ccccc1.O=C(Nc1ccccc1-c1cccc2oc(-c3ccccc3)nc12)c1ccc(Br)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5c4ccc4oc(-c6ccccc6)nc45)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C53H32N6O.C32H27BN2O3.C26H17BrN2O2.C26H15BrN2O.C19H14N2O.C14H10Br2O.C13H8BrNO.C6H5Br2N/c1-3-14-34(15-4-1)50-56-51(58-52(57-50)37-18-13-19-38(32-37)59-44-24-11-8-20-39(44)40-21-9-12-25-45(40)59)35-28-26-33(27-29-35)48-42-30-31-46-49(47(42)41-22-7-10-23-43(41)54-48)55-53(60-46)36-16-5-2-6-17-36;1-31(2)32(3,4)38-33(37-31)22-16-14-20(15-17-22)28-24-18-19-26-29(27(24)23-12-8-9-13-25(23)34-28)35-30(36-26)21-10-6-5-7-11-21;27-19-15-13-17(14-16-19)25(30)28-22-11-5-4-9-20(22)21-10-6-12-23-24(21)29-26(31-23)18-7-2-1-3-8-18;27-18-12-10-16(11-13-18)24-20-14-15-22-25(23(20)19-8-4-5-9-21(19)28-24)29-26(30-22)17-6-2-1-3-7-17;20-16-11-5-4-9-14(16)15-10-6-12-17-18(15)21-19(22-17)13-7-2-1-3-8-13;15-12-7-4-8-13(16)11(12)9-14(17)10-5-2-1-3-6-10;14-10-7-4-8-11-12(10)15-13(16-11)9-5-2-1-3-6-9;7-4-2-1-3-5(8)6(4)9/h1-32H;5-19H,1-4H3;1-16H,(H,28,30);1-15H;1-12H,20H2;1-8H,9H2;1-8H;1-3H,9H2
InChIKeyAEIUTLMRJGULQN-UHFFFAOYSA-N
XLogP51.54
TPSA355.12 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003353.34
LogP ≤ 551.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine with MolForge

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Related Compounds

2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 163581195
6-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine
CID 146670999
8-bromo-2-phenylimidazo[1,2-a]pyridine;1-(4-bromophenyl)-2-[2-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]ethanone;9-(4-bromophenyl)-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;3-bromopyridin-2-amine;2-(2-phenylimidazo[1,2-a]pyridin-8-yl)aniline;15-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 158979166
CID 165068193
CID 165068193
9-[3-[4-phenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147372231
2-bromoaniline;bromobenzene;3-bromobenzoyl chloride;3-bromo-N-(2-dibenzofuran-4-ylphenyl)benzamide;2-dibenzofuran-4-ylaniline;dibenzofuran-4-ylboronic acid;methane;14-methyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;iodide
CID 165107693
aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 161477655
2-(3-carbazol-9-ylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
CID 147786465
11-phenyl-12-[4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165166724
2-(8-bromodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 157145103
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene
CID 118265431
9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
CID 158091716

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine?
The IUPAC name of 4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine (CID 163415884) is 4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine.
What is the SMILES notation for 4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine?
The canonical SMILES for 4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine is Brc1ccc(-c2nc3ccccc3c3c2ccc2oc(-c4ccccc4)nc23)cc1.Brc1cccc2oc(-c3ccccc3)nc12.CC1(C)OB(c2ccc(-c3nc4ccccc4c4c3ccc3oc(-c5ccccc5)nc34)cc2)OC1(C)C.Nc1c(Br)cccc1Br.Nc1ccccc1-c1cccc2oc(-c3ccccc3)nc12.O=C(Cc1c(Br)cccc1Br)c1ccccc1.O=C(Nc1ccccc1-c1cccc2oc(-c3ccccc3)nc12)c1ccc(Br)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5c4ccc4oc(-c6ccccc6)nc45)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of 4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine?
The InChIKey is AEIUTLMRJGULQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N6O.C32H27BN2O3.C26H17BrN2O2.C26H15BrN2O.C19H14N2O.C14H10Br2O.C13H8BrNO.C6H5Br2N/c1-3-14-34(15-4-1)50-56-51(58-52(57-50)37-18-13-19-38(32-37)59-44-24-11-8-20-39(44)40-21-9-12-25-45(40)59)35-28-26-33(27-29-35)48-42-30-31-46-49(47(42)41-22-7-10-23-43(41)54-48)55-53(60-46)36-16-5-2-6-17-36;1-31(2)32(3,4)38-33(37-31)22-16-14-20(15-17-22)28-24-18-19-26-29(27(24)23-12-8-9-13-25(23)34-28)35-30(36-26)21-10-6-5-7-11-21;27-19-15-13-17(14-16-19)25(30)28-22-11-5-4-9-20(22)21-10-6-12-23-24(21)29-26(31-23)18-7-2-1-3-8-18;27-18-12-10-16(11-13-18)24-20-14-15-22-25(23(20)19-8-4-5-9-21(19)28-24)29-26(30-22)17-6-2-1-3-7-17;20-16-11-5-4-9-14(16)15-10-6-12-17-18(15)21-19(22-17)13-7-2-1-3-8-13;15-12-7-4-8-13(16)11(12)9-14(17)10-5-2-1-3-6-10;14-10-7-4-8-11-12(10)15-13(16-11)9-5-2-1-3-6-9;7-4-2-1-3-5(8)6(4)9/h1-32H;5-19H,1-4H3;1-16H,(H,28,30);1-15H;1-12H,20H2;1-8H,9H2;1-8H;1-3H,9H2.
What are the key properties of 4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine?
4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine has a molecular weight of 3353.34 g/mol, XLogP of 51.54, 21 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-phenyl-1,3-benzoxazole;4-bromo-N-[2-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]benzamide;6-(4-bromophenyl)-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;2,6-dibromoaniline;2-(2,6-dibromophenyl)-1-phenylethanone;2-(2-phenyl-1,3-benzoxazol-4-yl)aniline;2-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[5,4-k]phenanthridine is sourced from PubChem (CID 163415884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).