[1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum

C40H42N4OPt-2 — CID 169030742

IUPAC[1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCc1ccnc(N2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(C)c6ccccc65)cc(C(C)(C)C)c4)ccc3C3CCCC3C23CCCC3)c1
InChIInChI=1S/C40H42N4O.Pt/c1-27-17-20-41-38(21-27)44-37-25-30(15-16-33(37)32-11-10-12-34(32)40(44)18-8-9-19-40)45-31-23-28(39(2,3)4)22-29(24-31)43-26-42(5)35-13-6-7-14-36(35)43;/h6-7,13-17,20-23,32,34H,8-12,18-19H2,1-5H3;/q-2;
InChIKeyOUGWZZSCJUMTDC-UHFFFAOYSA-N
MW789.88 g/mol
LogP9.79
Rot. Bonds4

About [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum

[1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum (PubChem CID 169030742) has the molecular formula C40H42N4OPt-2 and a molecular weight of 789.88 g/mol. Its IUPAC name is [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
PubChem CID169030742
Molecular FormulaC40H42N4OPt-2
Molecular Weight789.88 g/mol
Exact Mass789.30
IUPAC Name[1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCc1ccnc(N2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(C)c6ccccc65)cc(C(C)(C)C)c4)ccc3C3CCCC3C23CCCC3)c1
InChIInChI=1S/C40H42N4O.Pt/c1-27-17-20-41-38(21-27)44-37-25-30(15-16-33(37)32-11-10-12-34(32)40(44)18-8-9-19-40)45-31-23-28(39(2,3)4)22-29(24-31)43-26-42(5)35-13-6-7-14-36(35)43;/h6-7,13-17,20-23,32,34H,8-12,18-19H2,1-5H3;/q-2;
InChIKeyOUGWZZSCJUMTDC-UHFFFAOYSA-N
XLogP9.79
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.88
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 169030734
[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169030671
[1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169030590
[1-[3-tert-butyl-5-[[2-methyl-6-(4-methyl-2-pyridinyl)-3,4,4a,5,7,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-7-id-8-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
CID 169030713
[1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169066578
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
CID 169066442
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066649
[1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066460
[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169030582
[1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796792
[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169030748
[1-[3-tert-butyl-5-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796780

Frequently Asked Questions

What is the IUPAC name of [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum (CID 169030742) is [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum is Cc1ccnc(N2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(C)c6ccccc65)cc(C(C)(C)C)c4)ccc3C3CCCC3C23CCCC3)c1.
What is the InChIKey of [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?
The InChIKey is OUGWZZSCJUMTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42N4O.Pt/c1-27-17-20-41-38(21-27)44-37-25-30(15-16-33(37)32-11-10-12-34(32)40(44)18-8-9-19-40)45-31-23-28(39(2,3)4)22-29(24-31)43-26-42(5)35-13-6-7-14-36(35)43;/h6-7,13-17,20-23,32,34H,8-12,18-19H2,1-5H3;/q-2;.
What are the key properties of [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?
[1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum has a molecular weight of 789.88 g/mol, XLogP of 9.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169030742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).