4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C181H110N20OSSe — CID 157186215

IUPAC4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)Cc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)[se]c4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)sc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc45)ccc32)cc1
InChIInChI=1S/C46H29N5.C45H27N5O.C45H27N5S.C45H27N5Se/c1-3-11-33(12-4-1)50-41-17-9-7-15-35(41)38-24-29(19-21-43(38)50)40-26-37-31(27-47-40)23-32-28-48-46(49-45(32)37)30-20-22-44-39(25-30)36-16-8-10-18-42(36)51(44)34-13-5-2-6-14-34;3*1-3-11-30(12-4-1)49-38-17-9-7-15-32(38)34-23-28(19-21-40(34)49)37-25-36-42(26-46-37)51-43-27-47-45(48-44(36)43)29-20-22-41-35(24-29)33-16-8-10-18-39(33)50(41)31-13-5-2-6-14-31/h1-22,24-28H,23H2;3*1-27H
InChIKeyAPDNHEQPAXFKPR-UHFFFAOYSA-N
MW2692.04 g/mol
LogP44.80
Rot. Bonds16

About 4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 157186215) has the molecular formula C181H110N20OSSe and a molecular weight of 2692.04 g/mol. Its IUPAC name is 4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID157186215
Molecular FormulaC181H110N20OSSe
Molecular Weight2692.04 g/mol
Exact Mass2690.81
IUPAC Name4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)Cc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)[se]c4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)sc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc45)ccc32)cc1
InChIInChI=1S/C46H29N5.C45H27N5O.C45H27N5S.C45H27N5Se/c1-3-11-33(12-4-1)50-41-17-9-7-15-35(41)38-24-29(19-21-43(38)50)40-26-37-31(27-47-40)23-32-28-48-46(49-45(32)37)30-20-22-44-39(25-30)36-16-8-10-18-42(36)51(44)34-13-5-2-6-14-34;3*1-3-11-30(12-4-1)49-38-17-9-7-15-32(38)34-23-28(19-21-40(34)49)37-25-36-42(26-46-37)51-43-27-47-45(48-44(36)43)29-20-22-41-35(24-29)33-16-8-10-18-39(33)50(41)31-13-5-2-6-14-31/h1-22,24-28H,23H2;3*1-27H
InChIKeyAPDNHEQPAXFKPR-UHFFFAOYSA-N
XLogP44.80
TPSA207.26 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002692.04
LogP ≤ 544.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene with MolForge

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Related Compounds

2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 157432745
N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N,N-bis[3-[2-(2,6-dimethylphenyl)thieno[3,2-c]pyridin-4-yl]-5-phenylbenzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-3-phenyl-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)furo[3,2-c]pyridin-4-yl]benzene-6-id-1-amine;tetrakis(platinum(2+))
CID 157550492
5-[4-(4,6-Diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 157680332
9-[4-[4-(4-Dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]carbazole;9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)carbazole;9-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)carbazole;8-[4-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 160034025
3,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 160533362
2-[3-[9-([1]Benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850216
8-[4-[3-[9-(4,6-Diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine
CID 117747408
8-[6-[3-[9-(4,6-Diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 117747410
8-[4-[3-[9-(2,6-Diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine
CID 117747457
8-[6-[3-[9-(2,6-Diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 117747460
8-[4-[3-[9-(2,6-Diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine
CID 117747501
8-[6-[5-[4,6-Di(dibenzothiophen-2-yl)pyrimidin-2-yl]indolo[2,3-b]carbazol-7-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine
CID 117862971

Frequently Asked Questions

What is the IUPAC name of 4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 157186215) is 4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)Cc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)[se]c4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)sc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc45)ccc32)cc1.
What is the InChIKey of 4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is APDNHEQPAXFKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5.C45H27N5O.C45H27N5S.C45H27N5Se/c1-3-11-33(12-4-1)50-41-17-9-7-15-35(41)38-24-29(19-21-43(38)50)40-26-37-31(27-47-40)23-32-28-48-46(49-45(32)37)30-20-22-44-39(25-30)36-16-8-10-18-42(36)51(44)34-13-5-2-6-14-34;3*1-3-11-30(12-4-1)49-38-17-9-7-15-32(38)34-23-28(19-21-40(34)49)37-25-36-42(26-46-37)51-43-27-47-45(48-44(36)43)29-20-22-41-35(24-29)33-16-8-10-18-39(33)50(41)31-13-5-2-6-14-31/h1-22,24-28H,23H2;3*1-27H.
What are the key properties of 4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 2692.04 g/mol, XLogP of 44.80, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 157186215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).