N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine

C380H254N18O3S5 — CID 162177196

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine

N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 162177196) has the molecular formula C380H254N18O3S5 and a molecular weight of 5280.67 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

• Compound Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
• PubChem CID: 162177196
• Molecular Formula: C380H254N18O3S5
• Molecular Weight: 5280.67 g/mol
• Exact Mass: 5275.89
• IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
• SMILES: c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5nc6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6s5)ccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5s4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2cccc3c2sc2ccccc23)cc1
• InChI: InChI=1S/C61H41N3S.C55H37N3S.C48H32N2O.C48H32N2S.2C42H28N2O.2C42H28N2S/c1-5-13-42(14-6-1)45-21-23-48(24-22-45)49-29-37-58-55(39-49)56-40-50(30-38-59(56)64(58)51-19-11-4-12-20-51)61-62-57-36-35-54(41-60(57)65-61)63(52-31-25-46(26-32-52)43-15-7-2-8-16-43)53-33-27-47(28-34-53)44-17-9-3-10-18-44;1-4-12-38(13-5-1)40-20-28-46(29-21-40)57(48-32-24-42(25-33-48)55-56-51-18-10-11-19-54(51)59-55)47-30-22-41(23-31-47)44-27-35-53-50(37-44)49-36-43(39-14-6-2-7-15-39)26-34-52(49)58(53)45-16-8-3-9-17-45;2*1-3-12-36(13-4-1)49(39-29-24-34(25-30-39)40-18-11-19-43-42-17-8-10-21-47(42)51-48(40)43)38-27-22-33(23-28-38)35-26-31-46-44(32-35)41-16-7-9-20-45(41)50(46)37-14-5-2-6-15-37;1-3-12-31(13-4-1)43(40-20-11-18-36-35-17-8-10-21-41(35)45-42(36)40)33-25-22-29(23-26-33)30-24-27-39-37(28-30)34-16-7-9-19-38(34)44(39)32-14-5-2-6-15-32;1-3-11-31(12-4-1)43(34-24-26-42-38(28-34)36-16-8-10-18-41(36)45-42)33-22-19-29(20-23-33)30-21-25-40-37(27-30)35-15-7-9-17-39(35)44(40)32-13-5-2-6-14-32;1-3-12-31(13-4-1)43(40-20-11-18-36-35-17-8-10-21-41(35)45-42(36)40)33-25-22-29(23-26-33)30-24-27-39-37(28-30)34-16-7-9-19-38(34)44(39)32-14-5-2-6-15-32;1-3-11-31(12-4-1)43(34-24-26-42-38(28-34)36-16-8-10-18-41(36)45-42)33-22-19-29(20-23-33)30-21-25-40-37(27-30)35-15-7-9-17-39(35)44(40)32-13-5-2-6-14-32/h1-41H;1-37H;2*1-32H;4*1-28H
• InChIKey: ZONRCJUQQCPEGM-UHFFFAOYSA-N
• XLogP: 108.39
• TPSA: 130.56 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 49
• Heavy Atoms: 406
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5280.67
LogP ≤ 5	108.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine?

The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine (CID 162177196) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine.

What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine?

The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5nc6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6s5)ccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5s4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2cccc3c2sc2ccccc23)cc1.

What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine?

The InChIKey is ZONRCJUQQCPEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3S.C55H37N3S.C48H32N2O.C48H32N2S.2C42H28N2O.2C42H28N2S/c1-5-13-42(14-6-1)45-21-23-48(24-22-45)49-29-37-58-55(39-49)56-40-50(30-38-59(56)64(58)51-19-11-4-12-20-51)61-62-57-36-35-54(41-60(57)65-61)63(52-31-25-46(26-32-52)43-15-7-2-8-16-43)53-33-27-47(28-34-53)44-17-9-3-10-18-44;1-4-12-38(13-5-1)40-20-28-46(29-21-40)57(48-32-24-42(25-33-48)55-56-51-18-10-11-19-54(51)59-55)47-30-22-41(23-31-47)44-27-35-53-50(37-44)49-36-43(39-14-6-2-7-15-39)26-34-52(49)58(53)45-16-8-3-9-17-45;2*1-3-12-36(13-4-1)49(39-29-24-34(25-30-39)40-18-11-19-43-42-17-8-10-21-47(42)51-48(40)43)38-27-22-33(23-28-38)35-26-31-46-44(32-35)41-16-7-9-20-45(41)50(46)37-14-5-2-6-15-37;1-3-12-31(13-4-1)43(40-20-11-18-36-35-17-8-10-21-41(35)45-42(36)40)33-25-22-29(23-26-33)30-24-27-39-37(28-30)34-16-7-9-19-38(34)44(39)32-14-5-2-6-15-32;1-3-11-31(12-4-1)43(34-24-26-42-38(28-34)36-16-8-10-18-41(36)45-42)33-22-19-29(20-23-33)30-21-25-40-37(27-30)35-15-7-9-17-39(35)44(40)32-13-5-2-6-14-32;1-3-12-31(13-4-1)43(40-20-11-18-36-35-17-8-10-21-41(35)45-42(36)40)33-25-22-29(23-26-33)30-24-27-39-37(28-30)34-16-7-9-19-38(34)44(39)32-14-5-2-6-15-32;1-3-11-31(12-4-1)43(34-24-26-42-38(28-34)36-16-8-10-18-41(36)45-42)33-22-19-29(20-23-33)30-21-25-40-37(27-30)35-15-7-9-17-39(35)44(40)32-13-5-2-6-14-32/h1-41H;1-37H;2*1-32H;4*1-28H.

What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine?

N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 5280.67 g/mol, XLogP of 108.39, 49 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenylaniline;N,N-bis(4-phenylphenyl)-2-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-1,3-benzothiazol-6-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 162177196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).