11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline

C268H162F8N12 — CID 158134399

IUPAC11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline
SMILESFC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc12.Fc1c(F)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)nc2c2ncccc12.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5c6ccccc6c6cccnc6c5n4)ccc23)cc1.c1ccc(-c2cc3c(-c4ccccc4)c4ccc(-c5ccnc6c5ccc5cccnc56)cc4c(-c4ccccc4)c3cc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5cnc6c(ccc7cccnc76)c5)ccc4c(-c4ccccc4)c3c2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5cc6ccc7cnccc7c6cn5)ccc34)ccc2c1
InChIInChI=1S/C50H32N2.C48H26F6N2.C46H28N2.C44H28N2.C42H26N2.C38H22F2N2/c1-5-14-33(15-6-1)42-31-45-46(32-43(42)34-16-7-2-8-17-34)48(36-20-11-4-12-21-36)44-30-38(24-25-40(44)47(45)35-18-9-3-10-19-35)39-27-29-52-50-41(39)26-23-37-22-13-28-51-49(37)50;49-47(50,51)40-22-23-55-45-37(40)20-21-38-41(48(52,53)54)26-42(56-46(38)45)30-18-19-36-39(25-30)43(31-17-16-27-8-1-2-10-29(27)24-31)34-13-5-6-14-35(34)44(36)33-15-7-11-28-9-3-4-12-32(28)33;1-2-10-31-24-34(18-16-29(31)8-1)45-39-13-5-6-14-40(39)46(38-15-7-11-30-9-3-4-12-36(30)38)42-25-33(20-21-41(42)45)44-26-32-17-19-35-27-47-23-22-37(35)43(32)28-48-44;1-4-11-29(12-5-1)33-20-22-37-39(26-33)41(30-13-6-2-7-14-30)38-23-21-34(27-40(38)42(37)31-15-8-3-9-16-31)36-25-35-19-18-32-17-10-24-45-43(32)44(35)46-28-36;1-3-12-27(13-4-1)39-32-18-9-10-19-33(32)40(28-14-5-2-6-15-28)37-26-29(21-22-34(37)39)38-24-23-36-31-17-8-7-16-30(31)35-20-11-25-43-41(35)42(36)44-38;39-35-29-16-9-21-41-37(29)38-30(36(35)40)19-20-32(42-38)25-17-18-28-31(22-25)34(24-12-5-2-6-13-24)27-15-8-7-14-26(27)33(28)23-10-3-1-4-11-23/h1-32H;1-26H;1-28H;1-28H;1-26H;1-22H
InChIKeyFTEBLHKTEOFAFB-UHFFFAOYSA-N
MW3702.31 g/mol
LogP73.63
Rot. Bonds21

About 11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline

11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline (PubChem CID 158134399) has the molecular formula C268H162F8N12 and a molecular weight of 3702.31 g/mol. Its IUPAC name is 11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline
PubChem CID158134399
Molecular FormulaC268H162F8N12
Molecular Weight3702.31 g/mol
Exact Mass3699.29
IUPAC Name11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline
SMILESFC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc12.Fc1c(F)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)nc2c2ncccc12.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5c6ccccc6c6cccnc6c5n4)ccc23)cc1.c1ccc(-c2cc3c(-c4ccccc4)c4ccc(-c5ccnc6c5ccc5cccnc56)cc4c(-c4ccccc4)c3cc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5cnc6c(ccc7cccnc76)c5)ccc4c(-c4ccccc4)c3c2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5cc6ccc7cnccc7c6cn5)ccc34)ccc2c1
InChIInChI=1S/C50H32N2.C48H26F6N2.C46H28N2.C44H28N2.C42H26N2.C38H22F2N2/c1-5-14-33(15-6-1)42-31-45-46(32-43(42)34-16-7-2-8-17-34)48(36-20-11-4-12-21-36)44-30-38(24-25-40(44)47(45)35-18-9-3-10-19-35)39-27-29-52-50-41(39)26-23-37-22-13-28-51-49(37)50;49-47(50,51)40-22-23-55-45-37(40)20-21-38-41(48(52,53)54)26-42(56-46(38)45)30-18-19-36-39(25-30)43(31-17-16-27-8-1-2-10-29(27)24-31)34-13-5-6-14-35(34)44(36)33-15-7-11-28-9-3-4-12-32(28)33;1-2-10-31-24-34(18-16-29(31)8-1)45-39-13-5-6-14-40(39)46(38-15-7-11-30-9-3-4-12-36(30)38)42-25-33(20-21-41(42)45)44-26-32-17-19-35-27-47-23-22-37(35)43(32)28-48-44;1-4-11-29(12-5-1)33-20-22-37-39(26-33)41(30-13-6-2-7-14-30)38-23-21-34(27-40(38)42(37)31-15-8-3-9-16-31)36-25-35-19-18-32-17-10-24-45-43(32)44(35)46-28-36;1-3-12-27(13-4-1)39-32-18-9-10-19-33(32)40(28-14-5-2-6-15-28)37-26-29(21-22-34(37)39)38-24-23-36-31-17-8-7-16-30(31)35-20-11-25-43-41(35)42(36)44-38;39-35-29-16-9-21-41-37(29)38-30(36(35)40)19-20-32(42-38)25-17-18-28-31(22-25)34(24-12-5-2-6-13-24)27-15-8-7-14-26(27)33(28)23-10-3-1-4-11-23/h1-32H;1-26H;1-28H;1-28H;1-26H;1-22H
InChIKeyFTEBLHKTEOFAFB-UHFFFAOYSA-N
XLogP73.63
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003702.31
LogP ≤ 573.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline with MolForge

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Related Compounds

4,7-Diphenyl-1,10-phenanthroline
CID 72812
5-Methyl-1,10-phenanthroline
CID 72791
5,6-Dimethyl-1,10-phenanthroline
CID 76357
Dibenzo(f,h)quinoxaline
CID 252644
1,10-Phenanthroline ferrous perchlorate
CID 84537
5-Phenyl-1,10-phenanthroline
CID 80258
1,10-Phenanthroline ferrous sulfate
CID 84567
Bis(1,10-phenanthroline)copper(2+)
CID 146186
Tris(1,10-phenanthroline)iron(2+)
CID 84602
Benzo(g)quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis-
CID 157284
Benzo(g)quinoline, 4,4'-(1,2-ethanediyldi-4,1-piperazinediyl)bis-
CID 3951536
6,9,12,31,34,37,51,54,58,61-Decazaundecacyclo[40.8.4.417,26.14,50.114,18.125,29.139,43.045,53.048,52.020,60.023,59]dohexaconta-1(50),2,4(55),14(62),15,17,19,21,23,25,27,29(57),39(56),40,42,44,46,48,51,53,58,60-docosaene
CID 10700612

Frequently Asked Questions

What is the IUPAC name of 11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline?
The IUPAC name of 11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline (CID 158134399) is 11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline?
The canonical SMILES for 11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline is FC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc12.Fc1c(F)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)nc2c2ncccc12.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5c6ccccc6c6cccnc6c5n4)ccc23)cc1.c1ccc(-c2cc3c(-c4ccccc4)c4ccc(-c5ccnc6c5ccc5cccnc56)cc4c(-c4ccccc4)c3cc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5cnc6c(ccc7cccnc76)c5)ccc4c(-c4ccccc4)c3c2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5cc6ccc7cnccc7c6cn5)ccc34)ccc2c1.
What is the InChIKey of 11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline?
The InChIKey is FTEBLHKTEOFAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2.C48H26F6N2.C46H28N2.C44H28N2.C42H26N2.C38H22F2N2/c1-5-14-33(15-6-1)42-31-45-46(32-43(42)34-16-7-2-8-17-34)48(36-20-11-4-12-21-36)44-30-38(24-25-40(44)47(45)35-18-9-3-10-19-35)39-27-29-52-50-41(39)26-23-37-22-13-28-51-49(37)50;49-47(50,51)40-22-23-55-45-37(40)20-21-38-41(48(52,53)54)26-42(56-46(38)45)30-18-19-36-39(25-30)43(31-17-16-27-8-1-2-10-29(27)24-31)34-13-5-6-14-35(34)44(36)33-15-7-11-28-9-3-4-12-32(28)33;1-2-10-31-24-34(18-16-29(31)8-1)45-39-13-5-6-14-40(39)46(38-15-7-11-30-9-3-4-12-36(30)38)42-25-33(20-21-41(42)45)44-26-32-17-19-35-27-47-23-22-37(35)43(32)28-48-44;1-4-11-29(12-5-1)33-20-22-37-39(26-33)41(30-13-6-2-7-14-30)38-23-21-34(27-40(38)42(37)31-15-8-3-9-16-31)36-25-35-19-18-32-17-10-24-45-43(32)44(35)46-28-36;1-3-12-27(13-4-1)39-32-18-9-10-19-33(32)40(28-14-5-2-6-15-28)37-26-29(21-22-34(37)39)38-24-23-36-31-17-8-7-16-30(31)35-20-11-25-43-41(35)42(36)44-38;39-35-29-16-9-21-41-37(29)38-30(36(35)40)19-20-32(42-38)25-17-18-28-31(22-25)34(24-12-5-2-6-13-24)27-15-8-7-14-26(27)33(28)23-10-3-1-4-11-23/h1-32H;1-26H;1-28H;1-28H;1-26H;1-22H.
What are the key properties of 11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline?
11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline has a molecular weight of 3702.31 g/mol, XLogP of 73.63, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9,10-diphenylanthracen-2-yl)benzo[f][1,10]phenanthroline;2-(9,10-diphenylanthracen-2-yl)-5,6-difluoro-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;3-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-2,8-phenanthroline;4-(6,7,9,10-tetraphenylanthracen-2-yl)-1,10-phenanthroline;3-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 158134399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).