1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide

C128H84N10 — CID 153434586

IUPAC1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide
SMILES[c-]1n(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-n5[c-][n+](-c6ccccc6)c6ccccc65)cc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-n7[c-][n+](-c8ccccc8)c8ccccc87)cc6)cc(-c6ccccc6-c6ccc(-n7[c-][n+](-c8ccccc8)c8ccccc87)cc6)c5)c4-c4ccc(-c5ncccn5)cc4)c3)cc2)c2ccccc2[n+]1-c1ccccc1
InChIInChI=1S/C128H84N10/c1-5-31-101(32-6-1)131-85-135(123-53-25-21-49-119(123)131)105-69-61-89(62-70-105)109-39-13-17-43-113(109)95-79-96(114-44-18-14-40-110(114)90-63-71-106(72-64-90)136-86-132(102-33-7-2-8-34-102)120-50-22-26-54-124(120)136)82-99(81-95)117-47-29-48-118(127(117)93-57-59-94(60-58-93)128-129-77-30-78-130-128)100-83-97(115-45-19-15-41-111(115)91-65-73-107(74-66-91)137-87-133(103-35-9-3-10-36-103)121-51-23-27-55-125(121)137)80-98(84-100)116-46-20-16-42-112(116)92-67-75-108(76-68-92)138-88-134(104-37-11-4-12-38-104)122-52-24-28-56-126(122)138/h1-84H
InChIKeyJHBCVOYTKDMIOJ-UHFFFAOYSA-N
MW1762.15 g/mol
LogP28.56
Rot. Bonds20

About 1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide

1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide (PubChem CID 153434586) has the molecular formula C128H84N10 and a molecular weight of 1762.15 g/mol. Its IUPAC name is 1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide.

Molecular Properties

Compound Name1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide
PubChem CID153434586
Molecular FormulaC128H84N10
Molecular Weight1762.15 g/mol
Exact Mass1760.69
IUPAC Name1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide
SMILES[c-]1n(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-n5[c-][n+](-c6ccccc6)c6ccccc65)cc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-n7[c-][n+](-c8ccccc8)c8ccccc87)cc6)cc(-c6ccccc6-c6ccc(-n7[c-][n+](-c8ccccc8)c8ccccc87)cc6)c5)c4-c4ccc(-c5ncccn5)cc4)c3)cc2)c2ccccc2[n+]1-c1ccccc1
InChIInChI=1S/C128H84N10/c1-5-31-101(32-6-1)131-85-135(123-53-25-21-49-119(123)131)105-69-61-89(62-70-105)109-39-13-17-43-113(109)95-79-96(114-44-18-14-40-110(114)90-63-71-106(72-64-90)136-86-132(102-33-7-2-8-34-102)120-50-22-26-54-124(120)136)82-99(81-95)117-47-29-48-118(127(117)93-57-59-94(60-58-93)128-129-77-30-78-130-128)100-83-97(115-45-19-15-41-111(115)91-65-73-107(74-66-91)137-87-133(103-35-9-3-10-36-103)121-51-23-27-55-125(121)137)80-98(84-100)116-46-20-16-42-112(116)92-67-75-108(76-68-92)138-88-134(104-37-11-4-12-38-104)122-52-24-28-56-126(122)138/h1-84H
InChIKeyJHBCVOYTKDMIOJ-UHFFFAOYSA-N
XLogP28.56
TPSA61.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001762.15
LogP ≤ 528.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide with MolForge

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Related Compounds

2-[3-[6-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)-2-pyridinyl]phenyl]phenol
CID 168730622
8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline
CID 139524681
6-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]phenoxy]-18,21-diphenyl-9-pyridin-2-yl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12,14,16,19,22,24,26-dodecaene
CID 176844699
2-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-6-(2,4,6-tritert-butylphenyl)-1,3,5-triazin-2-yl]-9-(4-methyl-2-pyridinyl)carbazole
CID 164786685
27-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]phenyl]-3-phenyl-20,25,27-triaza-1-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-2,4,6,8,10,12,14,16,18,21(26),22,24-dodecaene
CID 166589328
9,21-dimethyl-15-[3-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)phenoxy]-18-pyridin-2-yl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
CID 176844761
11-[3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]phenyl]-15,21,29-triphenyl-9,11,15,21,29-pentaza-1-boraoctacyclo[14.11.1.13,26.02,14.04,12.05,10.020,28.022,27]nonacosa-2(14),3,5(10),6,8,12,16,18,20(28),22(27),23,25-dodecaene
CID 164729235
5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine
CID 140968105
6-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]phenoxy]-18-methyl-21-phenyl-9-pyridin-2-yl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12,14,16,19,22,24,26-dodecaene
CID 176844804
3-(3,5-diphenylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 170539575
2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine
CID 134378286
2-phenylpyrimidine
CID 593578

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide?
The IUPAC name of 1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide (CID 153434586) is 1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide.
What is the SMILES notation for 1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide?
The canonical SMILES for 1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide is [c-]1n(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-n5[c-][n+](-c6ccccc6)c6ccccc65)cc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-n7[c-][n+](-c8ccccc8)c8ccccc87)cc6)cc(-c6ccccc6-c6ccc(-n7[c-][n+](-c8ccccc8)c8ccccc87)cc6)c5)c4-c4ccc(-c5ncccn5)cc4)c3)cc2)c2ccccc2[n+]1-c1ccccc1.
What is the InChIKey of 1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide?
The InChIKey is JHBCVOYTKDMIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H84N10/c1-5-31-101(32-6-1)131-85-135(123-53-25-21-49-119(123)131)105-69-61-89(62-70-105)109-39-13-17-43-113(109)95-79-96(114-44-18-14-40-110(114)90-63-71-106(72-64-90)136-86-132(102-33-7-2-8-34-102)120-50-22-26-54-124(120)136)82-99(81-95)117-47-29-48-118(127(117)93-57-59-94(60-58-93)128-129-77-30-78-130-128)100-83-97(115-45-19-15-41-111(115)91-65-73-107(74-66-91)137-87-133(103-35-9-3-10-36-103)121-51-23-27-55-125(121)137)80-98(84-100)116-46-20-16-42-112(116)92-67-75-108(76-68-92)138-88-134(104-37-11-4-12-38-104)122-52-24-28-56-126(122)138/h1-84H.
What are the key properties of 1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide?
1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide has a molecular weight of 1762.15 g/mol, XLogP of 28.56, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide is sourced from PubChem (CID 153434586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).