2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

C63H59N4O3Pt- — CID 177270822

IUPAC2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccccc2-c2ccccc2)[c-]c(-c2nccc3oc4cc5c(ccc6oc(C(C)(C)C)nc65)cc4c23)c1.[Pt]
InChIInChI=1S/C63H59N4O3.Pt/c1-60(2,3)40-30-38(29-39(31-40)54-53-45-32-37-25-26-51-56(66-59(70-51)63(10,11)12)44(37)35-52(45)69-50(53)27-28-64-54)43-22-18-24-49-55(43)65-58(46-33-41(61(4,5)6)34-47(57(46)68)62(7,8)9)67(49)48-23-17-16-21-42(48)36-19-14-13-15-20-36;/h13-28,30-35,68H,1-12H3;/q-1;
InChIKeySXSFHPYHXHBHKI-UHFFFAOYSA-N
MW1115.27 g/mol
LogP16.98
Rot. Bonds5

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 177270822) has the molecular formula C63H59N4O3Pt- and a molecular weight of 1115.27 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
PubChem CID177270822
Molecular FormulaC63H59N4O3Pt-
Molecular Weight1115.27 g/mol
Exact Mass1114.42
IUPAC Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccccc2-c2ccccc2)[c-]c(-c2nccc3oc4cc5c(ccc6oc(C(C)(C)C)nc65)cc4c23)c1.[Pt]
InChIInChI=1S/C63H59N4O3.Pt/c1-60(2,3)40-30-38(29-39(31-40)54-53-45-32-37-25-26-51-56(66-59(70-51)63(10,11)12)44(37)35-52(45)69-50(53)27-28-64-54)43-22-18-24-49-55(43)65-58(46-33-41(61(4,5)6)34-47(57(46)68)62(7,8)9)67(49)48-23-17-16-21-42(48)36-19-14-13-15-20-36;/h13-28,30-35,68H,1-12H3;/q-1;
InChIKeySXSFHPYHXHBHKI-UHFFFAOYSA-N
XLogP16.98
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001115.27
LogP ≤ 516.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum with MolForge

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Launch Full Analysis

Related Compounds

2-[5-[[2-Ethyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155519560
2-[4-[[2-Butyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155535137
2-[5-[[2-Butyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155539281
2-[5-[[4-Methyl-6-(4-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155541169
2-[4-[[2-Ethyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155550437
2-[4-[[2-Butyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155553011
2-[4-[[4-Methyl-6-(4-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155558947
2-[4-[[2-Ethyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155560093
2-[4-[[4-Methyl-6-(7-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155560192
5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 159390194
5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 163824581
2-[3-[1-[2-(difluoromethyl)-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]-2-methylphenyl]-5-(hydroxymethyl)-1,3-benzoxazole-7-carbonitrile
CID 167185813

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 177270822) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccccc2-c2ccccc2)[c-]c(-c2nccc3oc4cc5c(ccc6oc(C(C)(C)C)nc65)cc4c23)c1.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is SXSFHPYHXHBHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H59N4O3.Pt/c1-60(2,3)40-30-38(29-39(31-40)54-53-45-32-37-25-26-51-56(66-59(70-51)63(10,11)12)44(37)35-52(45)69-50(53)27-28-64-54)43-22-18-24-49-55(43)65-58(46-33-41(61(4,5)6)34-47(57(46)68)62(7,8)9)67(49)48-23-17-16-21-42(48)36-19-14-13-15-20-36;/h13-28,30-35,68H,1-12H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1115.27 g/mol, XLogP of 16.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-tert-butyl-7,20-dioxa-5,16-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-15-yl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177270822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).