6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine

C162H99N3O4 — CID 167118099

IUPAC6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)oc3ccc5c(c34)-c3ccccc3C53c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)oc6ccc8c(c67)-c6ccccc6C86c7ccccc7-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc76)c6c5oc5ccccc56)cc43)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3oc5ccccc5c43)cc21
InChIInChI=1S/C162H99N3O4/c1-159(2)138-89-102(61-74-117(138)118-77-70-109(92-139(118)159)164(107-66-57-100(58-67-107)97-33-9-4-10-34-97)111-72-79-120-115-40-16-23-47-129(115)160(141(120)94-111)132-50-26-18-42-122(132)152-135(160)82-86-146-155(152)126-46-22-29-53-144(126)166-146)103-62-75-127-149(90-103)167-147-87-83-137-153(156(127)147)124-44-20-28-52-134(124)162(137)131-49-25-17-41-116(131)121-80-73-112(95-142(121)162)165(108-68-59-101(60-69-108)98-35-11-5-12-36-98)143-85-81-113(151-125-45-21-30-54-145(125)169-158(143)151)104-63-76-128-150(91-104)168-148-88-84-136-154(157(128)148)123-43-19-27-51-133(123)161(136)130-48-24-15-39-114(130)119-78-71-110(93-140(119)161)163(105-37-13-6-14-38-105)106-64-55-99(56-65-106)96-31-7-3-8-32-96/h3-95H,1-2H3
InChIKeyHPFONMSBASLLJT-UHFFFAOYSA-N
MW2151.59 g/mol
LogP43.37
Rot. Bonds14

About 6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine

6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine (PubChem CID 167118099) has the molecular formula C162H99N3O4 and a molecular weight of 2151.59 g/mol. Its IUPAC name is 6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine.

Molecular Properties

Compound Name6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
PubChem CID167118099
Molecular FormulaC162H99N3O4
Molecular Weight2151.59 g/mol
Exact Mass2149.76
IUPAC Name6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)oc3ccc5c(c34)-c3ccccc3C53c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)oc6ccc8c(c67)-c6ccccc6C86c7ccccc7-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc76)c6c5oc5ccccc56)cc43)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3oc5ccccc5c43)cc21
InChIInChI=1S/C162H99N3O4/c1-159(2)138-89-102(61-74-117(138)118-77-70-109(92-139(118)159)164(107-66-57-100(58-67-107)97-33-9-4-10-34-97)111-72-79-120-115-40-16-23-47-129(115)160(141(120)94-111)132-50-26-18-42-122(132)152-135(160)82-86-146-155(152)126-46-22-29-53-144(126)166-146)103-62-75-127-149(90-103)167-147-87-83-137-153(156(127)147)124-44-20-28-52-134(124)162(137)131-49-25-17-41-116(131)121-80-73-112(95-142(121)162)165(108-68-59-101(60-69-108)98-35-11-5-12-36-98)143-85-81-113(151-125-45-21-30-54-145(125)169-158(143)151)104-63-76-128-150(91-104)168-148-88-84-136-154(157(128)148)123-43-19-27-51-133(123)161(136)130-48-24-15-39-114(130)119-78-71-110(93-140(119)161)163(105-37-13-6-14-38-105)106-64-55-99(56-65-106)96-31-7-3-8-32-96/h3-95H,1-2H3
InChIKeyHPFONMSBASLLJT-UHFFFAOYSA-N
XLogP43.37
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002151.59
LogP ≤ 543.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine with MolForge

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Related Compounds

9,9-dimethyl-N-phenyl-N-(3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 167118024
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504141
7'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504195
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine
CID 155153867
CID 146436698
CID 146436698
14,14-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 134392874
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 138462029
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)fluoren-2-amine;methane;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-4-amine
CID 162207264
2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine
CID 134195002
N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)fluoren-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)aniline
CID 159259870

Frequently Asked Questions

What is the IUPAC name of 6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine?
The IUPAC name of 6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine (CID 167118099) is 6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine.
What is the SMILES notation for 6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine?
The canonical SMILES for 6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine is CC1(C)c2cc(-c3ccc4c(c3)oc3ccc5c(c34)-c3ccccc3C53c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)oc6ccc8c(c67)-c6ccccc6C86c7ccccc7-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc76)c6c5oc5ccccc56)cc43)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3oc5ccccc5c43)cc21.
What is the InChIKey of 6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine?
The InChIKey is HPFONMSBASLLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H99N3O4/c1-159(2)138-89-102(61-74-117(138)118-77-70-109(92-139(118)159)164(107-66-57-100(58-67-107)97-33-9-4-10-34-97)111-72-79-120-115-40-16-23-47-129(115)160(141(120)94-111)132-50-26-18-42-122(132)152-135(160)82-86-146-155(152)126-46-22-29-53-144(126)166-146)103-62-75-127-149(90-103)167-147-87-83-137-153(156(127)147)124-44-20-28-52-134(124)162(137)131-49-25-17-41-116(131)121-80-73-112(95-142(121)162)165(108-68-59-101(60-69-108)98-35-11-5-12-36-98)143-85-81-113(151-125-45-21-30-54-145(125)169-158(143)151)104-63-76-128-150(91-104)168-148-88-84-136-154(157(128)148)123-43-19-27-51-133(123)161(136)130-48-24-15-39-114(130)119-78-71-110(93-140(119)161)163(105-37-13-6-14-38-105)106-64-55-99(56-65-106)96-31-7-3-8-32-96/h3-95H,1-2H3.
What are the key properties of 6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine?
6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine has a molecular weight of 2151.59 g/mol, XLogP of 43.37, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine is sourced from PubChem (CID 167118099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).