2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline

C290H165F7N18 — CID 157166895

IUPAC2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline
SMILESC1=C2C=c3cc(-c4ccc5ccc6cccnc6c5n4)ccc3=C2c2ccccc21.C1=c2ccc(-c3ccc4ccc5cccnc5c4n3)cc2=Cc2cccc3cccc1c23.Fc1ccnc2c1ccc1ccc(-c3cc4cc(C(F)(F)F)cc5ccc6cc(C(F)(F)F)cc3c6c54)nc12.c1cc2c3c(cccc3c1)-c1cc(-c3ccc4ccc5cccnc5c4n3)ccc1-2.c1ccc2c(c1)c1ccccc1c1cc(-c3cnc4c(ccc5c(-c6ccc7c8ccccc8c8ccccc8c7c6)ccnc54)c3)ccc21.c1ccc2c(c1)ccc1c2ccc2c3cc(-c4ccc5ccc6cccnc6c5n4)ccc3ccc21.c1ccc2cc3c(-c4ccc5ccc6cccnc6c5n4)c4ccccc4cc3cc2c1.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4cc5cccc6ccc7cccc4c7c65)cc3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4ccc5cccc6ccc3c4c56)nc12
InChIInChI=1S/C48H28N2.2C34H20N2.C30H13F7N2.2C30H18N2.3C28H16N2/c1-3-13-38-34(9-1)36-11-5-7-15-40(36)45-26-29(17-20-42(38)45)32-25-31-19-22-44-33(23-24-49-48(44)47(31)50-28-32)30-18-21-43-39-14-4-2-10-35(39)37-12-6-8-16-41(37)46(43)27-30;1-4-23-13-14-24-5-2-8-28-29(20-27(6-1)31(23)32(24)28)21-9-11-22(12-10-21)30-18-17-26-16-15-25-7-3-19-35-33(25)34(26)36-30;1-2-6-26-21(4-1)11-14-28-27(26)16-17-30-29(28)15-12-22-7-10-25(20-31(22)30)32-18-13-24-9-8-23-5-3-19-35-33(23)34(24)36-32;31-23-7-8-38-28-20(23)5-3-14-4-6-24(39-27(14)28)21-12-17-11-18(29(32,33)34)9-15-1-2-16-10-19(30(35,36)37)13-22(21)26(16)25(15)17;1-4-19-5-2-7-25-18-26-17-23(12-11-22(26)16-24(6-1)28(19)25)27-14-13-21-10-9-20-8-3-15-31-29(20)30(21)32-27;1-2-7-22-18-26-24(16-21(22)6-1)17-23-8-3-4-10-25(23)28(26)27-14-13-20-12-11-19-9-5-15-31-29(19)30(20)32-27;1-4-17-5-2-8-23-24-16-20(11-13-21(24)22(7-1)26(17)23)25-14-12-19-10-9-18-6-3-15-29-27(18)28(19)30-25;1-3-17-6-7-19-10-13-22(23-14-11-18(4-1)25(17)26(19)23)24-15-12-21-9-8-20-5-2-16-29-27(20)28(21)30-24;1-2-6-23-19(4-1)14-22-16-21-15-20(9-11-24(21)26(22)23)25-12-10-18-8-7-17-5-3-13-29-27(17)28(18)30-25/h1-28H;2*1-20H;1-13H;2*1-18H;3*1-16H
InChIKeyANACXYAYCZYZGB-UHFFFAOYSA-N
MW4034.62 g/mol
LogP73.56
Rot. Bonds11

About 2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline

2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline (PubChem CID 157166895) has the molecular formula C290H165F7N18 and a molecular weight of 4034.62 g/mol. Its IUPAC name is 2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline
PubChem CID157166895
Molecular FormulaC290H165F7N18
Molecular Weight4034.62 g/mol
Exact Mass4031.34
IUPAC Name2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline
SMILESC1=C2C=c3cc(-c4ccc5ccc6cccnc6c5n4)ccc3=C2c2ccccc21.C1=c2ccc(-c3ccc4ccc5cccnc5c4n3)cc2=Cc2cccc3cccc1c23.Fc1ccnc2c1ccc1ccc(-c3cc4cc(C(F)(F)F)cc5ccc6cc(C(F)(F)F)cc3c6c54)nc12.c1cc2c3c(cccc3c1)-c1cc(-c3ccc4ccc5cccnc5c4n3)ccc1-2.c1ccc2c(c1)c1ccccc1c1cc(-c3cnc4c(ccc5c(-c6ccc7c8ccccc8c8ccccc8c7c6)ccnc54)c3)ccc21.c1ccc2c(c1)ccc1c2ccc2c3cc(-c4ccc5ccc6cccnc6c5n4)ccc3ccc21.c1ccc2cc3c(-c4ccc5ccc6cccnc6c5n4)c4ccccc4cc3cc2c1.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4cc5cccc6ccc7cccc4c7c65)cc3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4ccc5cccc6ccc3c4c56)nc12
InChIInChI=1S/C48H28N2.2C34H20N2.C30H13F7N2.2C30H18N2.3C28H16N2/c1-3-13-38-34(9-1)36-11-5-7-15-40(36)45-26-29(17-20-42(38)45)32-25-31-19-22-44-33(23-24-49-48(44)47(31)50-28-32)30-18-21-43-39-14-4-2-10-35(39)37-12-6-8-16-41(37)46(43)27-30;1-4-23-13-14-24-5-2-8-28-29(20-27(6-1)31(23)32(24)28)21-9-11-22(12-10-21)30-18-17-26-16-15-25-7-3-19-35-33(25)34(26)36-30;1-2-6-26-21(4-1)11-14-28-27(26)16-17-30-29(28)15-12-22-7-10-25(20-31(22)30)32-18-13-24-9-8-23-5-3-19-35-33(23)34(24)36-32;31-23-7-8-38-28-20(23)5-3-14-4-6-24(39-27(14)28)21-12-17-11-18(29(32,33)34)9-15-1-2-16-10-19(30(35,36)37)13-22(21)26(16)25(15)17;1-4-19-5-2-7-25-18-26-17-23(12-11-22(26)16-24(6-1)28(19)25)27-14-13-21-10-9-20-8-3-15-31-29(20)30(21)32-27;1-2-7-22-18-26-24(16-21(22)6-1)17-23-8-3-4-10-25(23)28(26)27-14-13-20-12-11-19-9-5-15-31-29(19)30(20)32-27;1-4-17-5-2-8-23-24-16-20(11-13-21(24)22(7-1)26(17)23)25-14-12-19-10-9-18-6-3-15-29-27(18)28(19)30-25;1-3-17-6-7-19-10-13-22(23-14-11-18(4-1)25(17)26(19)23)24-15-12-21-9-8-20-5-2-16-29-27(20)28(21)30-24;1-2-6-23-19(4-1)14-22-16-21-15-20(9-11-24(21)26(22)23)25-12-10-18-8-7-17-5-3-13-29-27(17)28(18)30-25/h1-28H;2*1-20H;1-13H;2*1-18H;3*1-16H
InChIKeyANACXYAYCZYZGB-UHFFFAOYSA-N
XLogP73.56
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms315
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004034.62
LogP ≤ 573.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline?
The IUPAC name of 2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline (CID 157166895) is 2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline.
What is the SMILES notation for 2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline?
The canonical SMILES for 2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline is C1=C2C=c3cc(-c4ccc5ccc6cccnc6c5n4)ccc3=C2c2ccccc21.C1=c2ccc(-c3ccc4ccc5cccnc5c4n3)cc2=Cc2cccc3cccc1c23.Fc1ccnc2c1ccc1ccc(-c3cc4cc(C(F)(F)F)cc5ccc6cc(C(F)(F)F)cc3c6c54)nc12.c1cc2c3c(cccc3c1)-c1cc(-c3ccc4ccc5cccnc5c4n3)ccc1-2.c1ccc2c(c1)c1ccccc1c1cc(-c3cnc4c(ccc5c(-c6ccc7c8ccccc8c8ccccc8c7c6)ccnc54)c3)ccc21.c1ccc2c(c1)ccc1c2ccc2c3cc(-c4ccc5ccc6cccnc6c5n4)ccc3ccc21.c1ccc2cc3c(-c4ccc5ccc6cccnc6c5n4)c4ccccc4cc3cc2c1.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4cc5cccc6ccc7cccc4c7c65)cc3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4ccc5cccc6ccc3c4c56)nc12.
What is the InChIKey of 2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline?
The InChIKey is ANACXYAYCZYZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2.2C34H20N2.C30H13F7N2.2C30H18N2.3C28H16N2/c1-3-13-38-34(9-1)36-11-5-7-15-40(36)45-26-29(17-20-42(38)45)32-25-31-19-22-44-33(23-24-49-48(44)47(31)50-28-32)30-18-21-43-39-14-4-2-10-35(39)37-12-6-8-16-41(37)46(43)27-30;1-4-23-13-14-24-5-2-8-28-29(20-27(6-1)31(23)32(24)28)21-9-11-22(12-10-21)30-18-17-26-16-15-25-7-3-19-35-33(25)34(26)36-30;1-2-6-26-21(4-1)11-14-28-27(26)16-17-30-29(28)15-12-22-7-10-25(20-31(22)30)32-18-13-24-9-8-23-5-3-19-35-33(23)34(24)36-32;31-23-7-8-38-28-20(23)5-3-14-4-6-24(39-27(14)28)21-12-17-11-18(29(32,33)34)9-15-1-2-16-10-19(30(35,36)37)13-22(21)26(16)25(15)17;1-4-19-5-2-7-25-18-26-17-23(12-11-22(26)16-24(6-1)28(19)25)27-14-13-21-10-9-20-8-3-15-31-29(20)30(21)32-27;1-2-7-22-18-26-24(16-21(22)6-1)17-23-8-3-4-10-25(23)28(26)27-14-13-20-12-11-19-9-5-15-31-29(19)30(20)32-27;1-4-17-5-2-8-23-24-16-20(11-13-21(24)22(7-1)26(17)23)25-14-12-19-10-9-18-6-3-15-29-27(18)28(19)30-25;1-3-17-6-7-19-10-13-22(23-14-11-18(4-1)25(17)26(19)23)24-15-12-21-9-8-20-5-2-16-29-27(20)28(21)30-24;1-2-6-23-19(4-1)14-22-16-21-15-20(9-11-24(21)26(22)23)25-12-10-18-8-7-17-5-3-13-29-27(17)28(18)30-25/h1-28H;2*1-20H;1-13H;2*1-18H;3*1-16H.
What are the key properties of 2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline?
2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline has a molecular weight of 4034.62 g/mol, XLogP of 73.56, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-bis(trifluoromethyl)pyren-4-yl]-7-fluoro-1,10-phenanthroline;3,7-di(triphenylen-2-yl)-1,10-phenanthroline;2-fluoranthen-8-yl-1,10-phenanthroline;2-indeno[1,2-a]inden-2-yl-1,10-phenanthroline;2-picen-2-yl-1,10-phenanthroline;2-pleiaden-9-yl-1,10-phenanthroline;2-pyren-1-yl-1,10-phenanthroline;2-(4-pyren-4-ylphenyl)-1,10-phenanthroline;2-tetracen-5-yl-1,10-phenanthroline is sourced from PubChem (CID 157166895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).