2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C207H189N20O5Pt5-5 — CID 162190146

IUPAC2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(N(c5ccccc5)c5ccccn5)ccc4)cccc3n2Cc2ccc3ccccc3c2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(N(c5ccccc5)c5ccccn5)ccc4)cccc3n2Cc2ccccc2)c(O)c(C(C)(C)C)c1.CCCCn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)cccc21.CCCCn1c(-c2ccccc2O)nc2c(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)cccc21.Oc1ccccc1-c1nc2c(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)cccc2n1Cc1ccccc1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C49H45N4O.C45H43N4O.C42H45N4O.C37H27N4O.C34H29N4O.5Pt/c1-48(2,3)37-30-41(46(54)42(31-37)49(4,5)6)47-51-45-40(22-15-23-43(45)52(47)32-33-25-26-34-16-10-11-17-35(34)28-33)36-18-14-21-39(29-36)53(38-19-8-7-9-20-38)44-24-12-13-27-50-44;1-44(2,3)33-28-37(42(50)38(29-33)45(4,5)6)43-47-41-36(23-16-24-39(41)48(43)30-31-17-9-7-10-18-31)32-19-15-22-35(27-32)49(34-20-11-8-12-21-34)40-25-13-14-26-46-40;1-8-9-25-45-36-22-16-21-33(38(36)44-40(45)34-27-30(41(2,3)4)28-35(39(34)47)42(5,6)7)29-17-15-20-32(26-29)46(31-18-11-10-12-19-31)37-23-13-14-24-43-37;42-34-22-8-7-19-32(34)37-39-36-31(20-12-21-33(36)40(37)26-27-13-3-1-4-14-27)28-15-11-18-30(25-28)41(29-16-5-2-6-17-29)35-23-9-10-24-38-35;1-2-3-23-37-30-19-12-18-28(33(30)36-34(37)29-17-7-8-20-31(29)39)25-13-11-16-27(24-25)38(26-14-5-4-6-15-26)32-21-9-10-22-35-32;;;;;/h7-28,30-31,54H,32H2,1-6H3;7-26,28-29,50H,30H2,1-6H3;10-24,27-28,47H,8-9,25H2,1-7H3;1-24,42H,26H2;4-22,39H,2-3,23H2,1H3;;;;;/q5*-1;;;;;
InChIKeyGQLTYQSUYBYKOA-UHFFFAOYSA-N
MW4012.31 g/mol
LogP52.38
Rot. Bonds37

About 2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 162190146) has the molecular formula C207H189N20O5Pt5-5 and a molecular weight of 4012.31 g/mol. Its IUPAC name is 2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
PubChem CID162190146
Molecular FormulaC207H189N20O5Pt5-5
Molecular Weight4012.31 g/mol
Exact Mass4009.34
IUPAC Name2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(N(c5ccccc5)c5ccccn5)ccc4)cccc3n2Cc2ccc3ccccc3c2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(N(c5ccccc5)c5ccccn5)ccc4)cccc3n2Cc2ccccc2)c(O)c(C(C)(C)C)c1.CCCCn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)cccc21.CCCCn1c(-c2ccccc2O)nc2c(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)cccc21.Oc1ccccc1-c1nc2c(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)cccc2n1Cc1ccccc1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C49H45N4O.C45H43N4O.C42H45N4O.C37H27N4O.C34H29N4O.5Pt/c1-48(2,3)37-30-41(46(54)42(31-37)49(4,5)6)47-51-45-40(22-15-23-43(45)52(47)32-33-25-26-34-16-10-11-17-35(34)28-33)36-18-14-21-39(29-36)53(38-19-8-7-9-20-38)44-24-12-13-27-50-44;1-44(2,3)33-28-37(42(50)38(29-33)45(4,5)6)43-47-41-36(23-16-24-39(41)48(43)30-31-17-9-7-10-18-31)32-19-15-22-35(27-32)49(34-20-11-8-12-21-34)40-25-13-14-26-46-40;1-8-9-25-45-36-22-16-21-33(38(36)44-40(45)34-27-30(41(2,3)4)28-35(39(34)47)42(5,6)7)29-17-15-20-32(26-29)46(31-18-11-10-12-19-31)37-23-13-14-24-43-37;42-34-22-8-7-19-32(34)37-39-36-31(20-12-21-33(36)40(37)26-27-13-3-1-4-14-27)28-15-11-18-30(25-28)41(29-16-5-2-6-17-29)35-23-9-10-24-38-35;1-2-3-23-37-30-19-12-18-28(33(30)36-34(37)29-17-7-8-20-31(29)39)25-13-11-16-27(24-25)38(26-14-5-4-6-15-26)32-21-9-10-22-35-32;;;;;/h7-28,30-31,54H,32H2,1-6H3;7-26,28-29,50H,30H2,1-6H3;10-24,27-28,47H,8-9,25H2,1-7H3;1-24,42H,26H2;4-22,39H,2-3,23H2,1H3;;;;;/q5*-1;;;;;
InChIKeyGQLTYQSUYBYKOA-UHFFFAOYSA-N
XLogP52.38
TPSA270.90 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds37
Heavy Atoms237
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004012.31
LogP ≤ 552.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 162190146) is 2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(N(c5ccccc5)c5ccccn5)ccc4)cccc3n2Cc2ccc3ccccc3c2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(N(c5ccccc5)c5ccccn5)ccc4)cccc3n2Cc2ccccc2)c(O)c(C(C)(C)C)c1.CCCCn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)cccc21.CCCCn1c(-c2ccccc2O)nc2c(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)cccc21.Oc1ccccc1-c1nc2c(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)cccc2n1Cc1ccccc1.[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is GQLTYQSUYBYKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H45N4O.C45H43N4O.C42H45N4O.C37H27N4O.C34H29N4O.5Pt/c1-48(2,3)37-30-41(46(54)42(31-37)49(4,5)6)47-51-45-40(22-15-23-43(45)52(47)32-33-25-26-34-16-10-11-17-35(34)28-33)36-18-14-21-39(29-36)53(38-19-8-7-9-20-38)44-24-12-13-27-50-44;1-44(2,3)33-28-37(42(50)38(29-33)45(4,5)6)43-47-41-36(23-16-24-39(41)48(43)30-31-17-9-7-10-18-31)32-19-15-22-35(27-32)49(34-20-11-8-12-21-34)40-25-13-14-26-46-40;1-8-9-25-45-36-22-16-21-33(38(36)44-40(45)34-27-30(41(2,3)4)28-35(39(34)47)42(5,6)7)29-17-15-20-32(26-29)46(31-18-11-10-12-19-31)37-23-13-14-24-43-37;42-34-22-8-7-19-32(34)37-39-36-31(20-12-21-33(36)40(37)26-27-13-3-1-4-14-27)28-15-11-18-30(25-28)41(29-16-5-2-6-17-29)35-23-9-10-24-38-35;1-2-3-23-37-30-19-12-18-28(33(30)36-34(37)29-17-7-8-20-31(29)39)25-13-11-16-27(24-25)38(26-14-5-4-6-15-26)32-21-9-10-22-35-32;;;;;/h7-28,30-31,54H,32H2,1-6H3;7-26,28-29,50H,30H2,1-6H3;10-24,27-28,47H,8-9,25H2,1-7H3;1-24,42H,26H2;4-22,39H,2-3,23H2,1H3;;;;;/q5*-1;;;;;.
What are the key properties of 2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 4012.31 g/mol, XLogP of 52.38, 37 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162190146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).