2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline

C217H134N20 — CID 160529257

IUPAC2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline
SMILESc1cc(-c2ccc3ccc4cccnc4c3n2)cc(C2(c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc1C21c2ccccc2-c2ccc(-c3ccc4ccc5cccnc5c4n3)cc21.c1ccc2c(c1)-c1ccccc1C2(c1ccc2ccc3cccnc3c2n1)c1ccc2ccc3cccnc3c2n1.c1cnc2c(c1)ccc1ccc(-c3ccc(C4(c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)CCCCC4)cc3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4ccc5c(-c6ccc7ccc8cccnc8c7n6)ccc6ccc3c4c65)nc12
InChIInChI=1S/C49H28N4.C49H30N4.C42H32N4.C40H22N4.C37H22N4/c1-3-11-39-35(9-1)37-21-17-33(43-23-19-31-15-13-29-7-5-25-50-45(29)47(31)52-43)27-41(37)49(39)40-12-4-2-10-36(40)38-22-18-34(28-42(38)49)44-24-20-32-16-14-30-8-6-26-51-46(30)48(32)53-44;1-3-17-41-39(15-1)40-16-2-4-18-42(40)49(41,37-13-5-9-35(29-37)43-25-23-33-21-19-31-11-7-27-50-45(31)47(33)52-43)38-14-6-10-36(30-38)44-26-24-34-22-20-32-12-8-28-51-46(32)48(34)53-44;1-2-24-42(25-3-1,34-18-12-28(13-19-34)36-22-16-32-10-8-30-6-4-26-43-38(30)40(32)45-36)35-20-14-29(15-21-35)37-23-17-33-11-9-31-7-5-27-44-39(31)41(33)46-37;1-3-25-5-7-27-13-19-33(43-39(27)37(25)41-21-1)29-15-9-23-12-18-32-30(16-10-24-11-17-31(29)35(23)36(24)32)34-20-14-28-8-6-26-4-2-22-42-38(26)40(28)44-34;1-3-11-29-27(9-1)28-10-2-4-12-30(28)37(29,31-19-17-25-15-13-23-7-5-21-38-33(23)35(25)40-31)32-20-18-26-16-14-24-8-6-22-39-34(24)36(26)41-32/h1-28H;1-30H;4-23,26-27H,1-3,24-25H2;1-22H;1-22H
InChIKeyQVHWMXJMKNDOTC-UHFFFAOYSA-N
MW3021.60 g/mol
LogP51.95
Rot. Bonds14

About 2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline

2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline (PubChem CID 160529257) has the molecular formula C217H134N20 and a molecular weight of 3021.60 g/mol. Its IUPAC name is 2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline
PubChem CID160529257
Molecular FormulaC217H134N20
Molecular Weight3021.60 g/mol
Exact Mass3019.11
IUPAC Name2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline
SMILESc1cc(-c2ccc3ccc4cccnc4c3n2)cc(C2(c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc1C21c2ccccc2-c2ccc(-c3ccc4ccc5cccnc5c4n3)cc21.c1ccc2c(c1)-c1ccccc1C2(c1ccc2ccc3cccnc3c2n1)c1ccc2ccc3cccnc3c2n1.c1cnc2c(c1)ccc1ccc(-c3ccc(C4(c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)CCCCC4)cc3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4ccc5c(-c6ccc7ccc8cccnc8c7n6)ccc6ccc3c4c65)nc12
InChIInChI=1S/C49H28N4.C49H30N4.C42H32N4.C40H22N4.C37H22N4/c1-3-11-39-35(9-1)37-21-17-33(43-23-19-31-15-13-29-7-5-25-50-45(29)47(31)52-43)27-41(37)49(39)40-12-4-2-10-36(40)38-22-18-34(28-42(38)49)44-24-20-32-16-14-30-8-6-26-51-46(30)48(32)53-44;1-3-17-41-39(15-1)40-16-2-4-18-42(40)49(41,37-13-5-9-35(29-37)43-25-23-33-21-19-31-11-7-27-50-45(31)47(33)52-43)38-14-6-10-36(30-38)44-26-24-34-22-20-32-12-8-28-51-46(32)48(34)53-44;1-2-24-42(25-3-1,34-18-12-28(13-19-34)36-22-16-32-10-8-30-6-4-26-43-38(30)40(32)45-36)35-20-14-29(15-21-35)37-23-17-33-11-9-31-7-5-27-44-39(31)41(33)46-37;1-3-25-5-7-27-13-19-33(43-39(27)37(25)41-21-1)29-15-9-23-12-18-32-30(16-10-24-11-17-31(29)35(23)36(24)32)34-20-14-28-8-6-26-4-2-22-42-38(26)40(28)44-34;1-3-11-29-27(9-1)28-10-2-4-12-30(28)37(29,31-19-17-25-15-13-23-7-5-21-38-33(23)35(25)40-31)32-20-18-26-16-14-24-8-6-22-39-34(24)36(26)41-32/h1-28H;1-30H;4-23,26-27H,1-3,24-25H2;1-22H;1-22H
InChIKeyQVHWMXJMKNDOTC-UHFFFAOYSA-N
XLogP51.95
TPSA257.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003021.60
LogP ≤ 551.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline with MolForge

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Related Compounds

2-[3-[3-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]phenyl]phenyl]-1,10-phenanthroline
CID 70858599
2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline
CID 159539270
2-[2'-(1,9-phenanthrolin-8-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline
CID 58789519
2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 138739023
2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline
CID 137395647
2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline
CID 134596702
2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline
CID 158905311
14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129124156
2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)-1,10-phenanthroline
CID 159902909
8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline
CID 121315542
8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline
CID 121315569
2'-(1,10-phenanthrolin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 90246647

Frequently Asked Questions

What is the IUPAC name of 2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline?
The IUPAC name of 2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline (CID 160529257) is 2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline is c1cc(-c2ccc3ccc4cccnc4c3n2)cc(C2(c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc1C21c2ccccc2-c2ccc(-c3ccc4ccc5cccnc5c4n3)cc21.c1ccc2c(c1)-c1ccccc1C2(c1ccc2ccc3cccnc3c2n1)c1ccc2ccc3cccnc3c2n1.c1cnc2c(c1)ccc1ccc(-c3ccc(C4(c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)CCCCC4)cc3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4ccc5c(-c6ccc7ccc8cccnc8c7n6)ccc6ccc3c4c65)nc12.
What is the InChIKey of 2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline?
The InChIKey is QVHWMXJMKNDOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4.C49H30N4.C42H32N4.C40H22N4.C37H22N4/c1-3-11-39-35(9-1)37-21-17-33(43-23-19-31-15-13-29-7-5-25-50-45(29)47(31)52-43)27-41(37)49(39)40-12-4-2-10-36(40)38-22-18-34(28-42(38)49)44-24-20-32-16-14-30-8-6-26-51-46(30)48(32)53-44;1-3-17-41-39(15-1)40-16-2-4-18-42(40)49(41,37-13-5-9-35(29-37)43-25-23-33-21-19-31-11-7-27-50-45(31)47(33)52-43)38-14-6-10-36(30-38)44-26-24-34-22-20-32-12-8-28-51-46(32)48(34)53-44;1-2-24-42(25-3-1,34-18-12-28(13-19-34)36-22-16-32-10-8-30-6-4-26-43-38(30)40(32)45-36)35-20-14-29(15-21-35)37-23-17-33-11-9-31-7-5-27-44-39(31)41(33)46-37;1-3-25-5-7-27-13-19-33(43-39(27)37(25)41-21-1)29-15-9-23-12-18-32-30(16-10-24-11-17-31(29)35(23)36(24)32)34-20-14-28-8-6-26-4-2-22-42-38(26)40(28)44-34;1-3-11-29-27(9-1)28-10-2-4-12-30(28)37(29,31-19-17-25-15-13-23-7-5-21-38-33(23)35(25)40-31)32-20-18-26-16-14-24-8-6-22-39-34(24)36(26)41-32/h1-28H;1-30H;4-23,26-27H,1-3,24-25H2;1-22H;1-22H.
What are the key properties of 2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline?
2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline has a molecular weight of 3021.60 g/mol, XLogP of 51.95, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(1,10-phenanthrolin-2-yl)fluoren-9-yl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclohexyl]phenyl]-1,10-phenanthroline;2-[3-[9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)pyren-1-yl]-1,10-phenanthroline;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 160529257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).