bis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole

C201H117F3N8O5 — CID 158207020

IUPACbis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole
SMILESCC(c1ccc2oc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc2c1)(c1ccc2oc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc2c1)C(F)(F)F.OC(c1ccc2c(c1)N=C(c1ccc3cc4ccccc4cc3c1)C2)c1ccc2c(c1)N=C(c1ccc3cc4ccccc4cc3c1)C2.c1cc2ccc3cc(C4=Nc5ccc(-c6ccc7c(c6)N=C(c6cc8ccc9cccc%10ccc(c6)c8c9%10)C7)cc5C4)cc4ccc(c1)c2c34.c1ccc2c(c1)-c1ccccc1C2(c1ccc2oc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc2c1)c1ccc2oc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc2c1
InChIInChI=1S/C59H32N2O2.C49H27F3N2O2.C48H28N2.C45H30N2O/c1-3-13-47-45(11-1)46-12-2-4-14-48(46)59(47,43-23-25-51-49(31-43)60-57(62-51)41-27-37-19-15-33-7-5-8-34-16-20-38(28-41)55(37)53(33)34)44-24-26-52-50(32-44)61-58(63-52)42-29-39-21-17-35-9-6-10-36-18-22-40(30-42)56(39)54(35)36;1-48(49(50,51)52,36-16-18-40-38(24-36)53-46(55-40)34-20-30-12-8-26-4-2-5-27-9-13-31(21-34)44(30)42(26)27)37-17-19-41-39(25-37)54-47(56-41)35-22-32-14-10-28-6-3-7-29-11-15-33(23-35)45(32)43(28)29;1-3-27-7-13-34-20-38(21-35-14-8-28(4-1)45(27)47(34)35)43-25-33-12-11-32(24-42(33)50-43)31-17-18-41-40(19-31)26-44(49-41)39-22-36-15-9-29-5-2-6-30-10-16-37(23-39)48(36)46(29)30;48-45(37-15-13-35-23-41(46-43(35)25-37)33-11-9-31-17-27-5-1-3-7-29(27)19-39(31)21-33)38-16-14-36-24-42(47-44(36)26-38)34-12-10-32-18-28-6-2-4-8-30(28)20-40(32)22-34/h1-32H;2-25H,1H3;1-24H,25-26H2;1-22,25-26,45,48H,23-24H2
InChIKeyGBPRWARGNQRZRH-UHFFFAOYSA-N
MW2781.19 g/mol
LogP52.66
Rot. Bonds15

About bis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole

bis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole (PubChem CID 158207020) has the molecular formula C201H117F3N8O5 and a molecular weight of 2781.19 g/mol. Its IUPAC name is bis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Namebis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole
PubChem CID158207020
Molecular FormulaC201H117F3N8O5
Molecular Weight2781.19 g/mol
Exact Mass2778.91
IUPAC Namebis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole
SMILESCC(c1ccc2oc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc2c1)(c1ccc2oc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc2c1)C(F)(F)F.OC(c1ccc2c(c1)N=C(c1ccc3cc4ccccc4cc3c1)C2)c1ccc2c(c1)N=C(c1ccc3cc4ccccc4cc3c1)C2.c1cc2ccc3cc(C4=Nc5ccc(-c6ccc7c(c6)N=C(c6cc8ccc9cccc%10ccc(c6)c8c9%10)C7)cc5C4)cc4ccc(c1)c2c34.c1ccc2c(c1)-c1ccccc1C2(c1ccc2oc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc2c1)c1ccc2oc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc2c1
InChIInChI=1S/C59H32N2O2.C49H27F3N2O2.C48H28N2.C45H30N2O/c1-3-13-47-45(11-1)46-12-2-4-14-48(46)59(47,43-23-25-51-49(31-43)60-57(62-51)41-27-37-19-15-33-7-5-8-34-16-20-38(28-41)55(37)53(33)34)44-24-26-52-50(32-44)61-58(63-52)42-29-39-21-17-35-9-6-10-36-18-22-40(30-42)56(39)54(35)36;1-48(49(50,51)52,36-16-18-40-38(24-36)53-46(55-40)34-20-30-12-8-26-4-2-5-27-9-13-31(21-34)44(30)42(26)27)37-17-19-41-39(25-37)54-47(56-41)35-22-32-14-10-28-6-3-7-29-11-15-33(23-35)45(32)43(28)29;1-3-27-7-13-34-20-38(21-35-14-8-28(4-1)45(27)47(34)35)43-25-33-12-11-32(24-42(33)50-43)31-17-18-41-40(19-31)26-44(49-41)39-22-36-15-9-29-5-2-6-30-10-16-37(23-39)48(36)46(29)30;48-45(37-15-13-35-23-41(46-43(35)25-37)33-11-9-31-17-27-5-1-3-7-29(27)19-39(31)21-33)38-16-14-36-24-42(47-44(36)26-38)34-12-10-32-18-28-6-2-4-8-30(28)20-40(32)22-34/h1-32H;2-25H,1H3;1-24H,25-26H2;1-22,25-26,45,48H,23-24H2
InChIKeyGBPRWARGNQRZRH-UHFFFAOYSA-N
XLogP52.66
TPSA173.79 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002781.19
LogP ≤ 552.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole with MolForge

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Related Compounds

5-Benzoxazoleethanol, beta-methyl-2-phenyl-, hydrate (4:1)
CID 46400
6-Fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole
CID 12782441
2,2'-(Naphthalene-1,4-diyl)bis(5-tert-butyl-1,3-benzoxazole)
CID 18381170
5-[1,1,1,3,3,3-Hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 18739355
2-[3,8-Di(dibenzofuran-4-yl)pyren-1-yl]-5-(4-fluorophenyl)-1,3-benzoxazole
CID 57610595
2-[3,8-Di(dibenzofuran-4-yl)pyren-1-yl]-5-(3-fluorophenyl)-1,3-benzoxazole
CID 57610751
2-[4-[4-[6-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-benzoxazol-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole
CID 57957973
5-[2-[4-[4-[6-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-benzoxazol-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-5-yl]-2-methyl-1,3-benzoxazole
CID 57959116
2-[9,10-Dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole
CID 58028242
2-[4-[4-[1,3-Dioxo-5-[4-[5-[1,1,1-trifluoro-2-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]propan-2-yl]-7,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]isoindol-2-yl]phenoxy]phenyl]-5-methylisoindole-1,3-dione
CID 58193407
2-Methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-benzoxazol-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
CID 58443984
2-Methyl-5-[1,1,1-trifluoro-2-[2-(4-methylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]propan-2-yl]-1,3-benzoxazole
CID 58443996

Frequently Asked Questions

What is the IUPAC name of bis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole?
The IUPAC name of bis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole (CID 158207020) is bis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole.
What is the SMILES notation for bis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole?
The canonical SMILES for bis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole is CC(c1ccc2oc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc2c1)(c1ccc2oc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc2c1)C(F)(F)F.OC(c1ccc2c(c1)N=C(c1ccc3cc4ccccc4cc3c1)C2)c1ccc2c(c1)N=C(c1ccc3cc4ccccc4cc3c1)C2.c1cc2ccc3cc(C4=Nc5ccc(-c6ccc7c(c6)N=C(c6cc8ccc9cccc%10ccc(c6)c8c9%10)C7)cc5C4)cc4ccc(c1)c2c34.c1ccc2c(c1)-c1ccccc1C2(c1ccc2oc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc2c1)c1ccc2oc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc2c1.
What is the InChIKey of bis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole?
The InChIKey is GBPRWARGNQRZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H32N2O2.C49H27F3N2O2.C48H28N2.C45H30N2O/c1-3-13-47-45(11-1)46-12-2-4-14-48(46)59(47,43-23-25-51-49(31-43)60-57(62-51)41-27-37-19-15-33-7-5-8-34-16-20-38(28-41)55(37)53(33)34)44-24-26-52-50(32-44)61-58(63-52)42-29-39-21-17-35-9-6-10-36-18-22-40(30-42)56(39)54(35)36;1-48(49(50,51)52,36-16-18-40-38(24-36)53-46(55-40)34-20-30-12-8-26-4-2-5-27-9-13-31(21-34)44(30)42(26)27)37-17-19-41-39(25-37)54-47(56-41)35-22-32-14-10-28-6-3-7-29-11-15-33(23-35)45(32)43(28)29;1-3-27-7-13-34-20-38(21-35-14-8-28(4-1)45(27)47(34)35)43-25-33-12-11-32(24-42(33)50-43)31-17-18-41-40(19-31)26-44(49-41)39-22-36-15-9-29-5-2-6-30-10-16-37(23-39)48(36)46(29)30;48-45(37-15-13-35-23-41(46-43(35)25-37)33-11-9-31-17-27-5-1-3-7-29(27)19-39(31)21-33)38-16-14-36-24-42(47-44(36)26-38)34-12-10-32-18-28-6-2-4-8-30(28)20-40(32)22-34/h1-32H;2-25H,1H3;1-24H,25-26H2;1-22,25-26,45,48H,23-24H2.
What are the key properties of bis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole?
bis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole has a molecular weight of 2781.19 g/mol, XLogP of 52.66, 15 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-anthracen-2-yl-3H-indol-6-yl)methanol;2-pyren-2-yl-5-[9-(2-pyren-2-yl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole;2-pyren-2-yl-5-(2-pyren-2-yl-3H-indol-6-yl)-3H-indole;2-pyren-2-yl-5-[1,1,1-trifluoro-2-(2-pyren-2-yl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 158207020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).