9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine

C180H120N4O3S — CID 160591525

IUPAC9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine
SMILES[2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4oc5ccccc5c34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(C3(c4cccc5c4sc4ccccc45)c4ccccc4-c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc43)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C51H33NS.3C43H29NO/c1-2-18-37(19-3-1)52(38-29-28-34-14-4-5-16-36(34)32-38)39-30-31-47-44(33-39)41-21-8-10-24-46(41)51(47,45-25-12-17-35-15-6-7-20-40(35)45)48-26-13-23-43-42-22-9-11-27-49(42)53-50(43)48;1-4-15-30(16-5-1)43(39-24-14-26-41-42(39)35-22-11-13-25-40(35)45-41)37-23-12-10-21-34(37)36-29-33(27-28-38(36)43)44(31-17-6-2-7-18-31)32-19-8-3-9-20-32;1-4-14-30(15-5-1)43(31-24-27-42-38(28-31)36-21-11-13-23-41(36)45-42)39-22-12-10-20-35(39)37-29-34(25-26-40(37)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33;1-4-14-30(15-5-1)43(31-24-26-37-36-21-11-13-23-41(36)45-42(37)28-31)39-22-12-10-20-35(39)38-29-34(25-27-40(38)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-33H;3*1-29H/i6D,7D,12D,15D,17D,20D,25D;1D,4D,5D,15D,16D;2*1D,4D,5D,14D,15D
InChIKeyRDBWFZIXFRLTKA-JKTDJTPXSA-N
MW2441.17 g/mol
LogP48.45
Rot. Bonds20

About 9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine

9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine (PubChem CID 160591525) has the molecular formula C180H120N4O3S and a molecular weight of 2441.17 g/mol. Its IUPAC name is 9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine.

Molecular Properties

Compound Name9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine
PubChem CID160591525
Molecular FormulaC180H120N4O3S
Molecular Weight2441.17 g/mol
Exact Mass2439.05
IUPAC Name9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine
SMILES[2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4oc5ccccc5c34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(C3(c4cccc5c4sc4ccccc45)c4ccccc4-c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc43)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C51H33NS.3C43H29NO/c1-2-18-37(19-3-1)52(38-29-28-34-14-4-5-16-36(34)32-38)39-30-31-47-44(33-39)41-21-8-10-24-46(41)51(47,45-25-12-17-35-15-6-7-20-40(35)45)48-26-13-23-43-42-22-9-11-27-49(42)53-50(43)48;1-4-15-30(16-5-1)43(39-24-14-26-41-42(39)35-22-11-13-25-40(35)45-41)37-23-12-10-21-34(37)36-29-33(27-28-38(36)43)44(31-17-6-2-7-18-31)32-19-8-3-9-20-32;1-4-14-30(15-5-1)43(31-24-27-42-38(28-31)36-21-11-13-23-41(36)45-42)39-22-12-10-20-35(39)37-29-34(25-26-40(37)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33;1-4-14-30(15-5-1)43(31-24-26-37-36-21-11-13-23-41(36)45-42(37)28-31)39-22-12-10-20-35(39)38-29-34(25-27-40(38)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-33H;3*1-29H/i6D,7D,12D,15D,17D,20D,25D;1D,4D,5D,15D,16D;2*1D,4D,5D,14D,15D
InChIKeyRDBWFZIXFRLTKA-JKTDJTPXSA-N
XLogP48.45
TPSA52.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002441.17
LogP ≤ 548.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine with MolForge

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Related Compounds

9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine;9-dibenzofuran-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine
CID 158176424
9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine
CID 160793989
9-dibenzofuran-1-yl-3-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine;9-dibenzofuran-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine
CID 159248377
9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 160689897
9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 159062031
9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine;9-dibenzofuran-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine
CID 157051300
9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine
CID 162004042
9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine
CID 156687450
9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine
CID 156687405
9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine
CID 156687617
9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine
CID 156687341
9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine
CID 156687381

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine?
The IUPAC name of 9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine (CID 160591525) is 9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine.
What is the SMILES notation for 9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine?
The canonical SMILES for 9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine is [2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4oc5ccccc5c34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(C3(c4cccc5c4sc4ccccc45)c4ccccc4-c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].
What is the InChIKey of 9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine?
The InChIKey is RDBWFZIXFRLTKA-JKTDJTPXSA-N. The full InChI is InChI=1S/C51H33NS.3C43H29NO/c1-2-18-37(19-3-1)52(38-29-28-34-14-4-5-16-36(34)32-38)39-30-31-47-44(33-39)41-21-8-10-24-46(41)51(47,45-25-12-17-35-15-6-7-20-40(35)45)48-26-13-23-43-42-22-9-11-27-49(42)53-50(43)48;1-4-15-30(16-5-1)43(39-24-14-26-41-42(39)35-22-11-13-25-40(35)45-41)37-23-12-10-21-34(37)36-29-33(27-28-38(36)43)44(31-17-6-2-7-18-31)32-19-8-3-9-20-32;1-4-14-30(15-5-1)43(31-24-27-42-38(28-31)36-21-11-13-23-41(36)45-42)39-22-12-10-20-35(39)37-29-34(25-26-40(37)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33;1-4-14-30(15-5-1)43(31-24-26-37-36-21-11-13-23-41(36)45-42(37)28-31)39-22-12-10-20-35(39)38-29-34(25-27-40(38)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-33H;3*1-29H/i6D,7D,12D,15D,17D,20D,25D;1D,4D,5D,15D,16D;2*1D,4D,5D,14D,15D.
What are the key properties of 9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine?
9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine has a molecular weight of 2441.17 g/mol, XLogP of 48.45, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine is sourced from PubChem (CID 160591525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).