1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole

C68H52N10O2 — CID 166007124

IUPAC1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole
SMILESc1ccc(N2CN(c3cccc(Oc4cccc(N5CN(c6ccc(N7CN(c8cccc(Oc9cccc(N%10CN(c%11ccccn%11)c%11ccccc%11%10)c9)c8)c8ccccc87)cc6)c6ccccc65)c4)c3)c3ccccc32)nc1
InChIInChI=1S/C68H52N10O2/c1-3-27-61-59(25-1)71(45-73(61)51-17-13-21-55(41-51)79-57-23-15-19-53(43-57)75-47-77(67-33-9-11-39-69-67)65-31-7-5-29-63(65)75)49-35-37-50(38-36-49)72-46-74(62-28-4-2-26-60(62)72)52-18-14-22-56(42-52)80-58-24-16-20-54(44-58)76-48-78(68-34-10-12-40-70-68)66-32-8-6-30-64(66)76/h1-44H,45-48H2
InChIKeyQTZIEJRYULGQLP-UHFFFAOYSA-N
MW1041.23 g/mol
LogP17.05
Rot. Bonds12

About 1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole

1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole (PubChem CID 166007124) has the molecular formula C68H52N10O2 and a molecular weight of 1041.23 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole.

Molecular Properties

Compound Name1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole
PubChem CID166007124
Molecular FormulaC68H52N10O2
Molecular Weight1041.23 g/mol
Exact Mass1040.43
IUPAC Name1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole
SMILESc1ccc(N2CN(c3cccc(Oc4cccc(N5CN(c6ccc(N7CN(c8cccc(Oc9cccc(N%10CN(c%11ccccn%11)c%11ccccc%11%10)c9)c8)c8ccccc87)cc6)c6ccccc65)c4)c3)c3ccccc32)nc1
InChIInChI=1S/C68H52N10O2/c1-3-27-61-59(25-1)71(45-73(61)51-17-13-21-55(41-51)79-57-23-15-19-53(43-57)75-47-77(67-33-9-11-39-69-67)65-31-7-5-29-63(65)75)49-35-37-50(38-36-49)72-46-74(62-28-4-2-26-60(62)72)52-18-14-22-56(42-52)80-58-24-16-20-54(44-58)76-48-78(68-34-10-12-40-70-68)66-32-8-6-30-64(66)76/h1-44H,45-48H2
InChIKeyQTZIEJRYULGQLP-UHFFFAOYSA-N
XLogP17.05
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001041.23
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole with MolForge

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Related Compounds

1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole
CID 166007130
11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 170668607
1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole
CID 165377327
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]-2H-benzimidazole
CID 155651329
6-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-3-pyridin-2-yl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
CID 168857750
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
CID 155616602
3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 168799509
9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole
CID 166007105
10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine
CID 168840770
10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzotellurazine
CID 168840760

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole?
The IUPAC name of 1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole (CID 166007124) is 1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole.
What is the SMILES notation for 1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole?
The canonical SMILES for 1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole is c1ccc(N2CN(c3cccc(Oc4cccc(N5CN(c6ccc(N7CN(c8cccc(Oc9cccc(N%10CN(c%11ccccn%11)c%11ccccc%11%10)c9)c8)c8ccccc87)cc6)c6ccccc65)c4)c3)c3ccccc32)nc1.
What is the InChIKey of 1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole?
The InChIKey is QTZIEJRYULGQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52N10O2/c1-3-27-61-59(25-1)71(45-73(61)51-17-13-21-55(41-51)79-57-23-15-19-53(43-57)75-47-77(67-33-9-11-39-69-67)65-31-7-5-29-63(65)75)49-35-37-50(38-36-49)72-46-74(62-28-4-2-26-60(62)72)52-18-14-22-56(42-52)80-58-24-16-20-54(44-58)76-48-78(68-34-10-12-40-70-68)66-32-8-6-30-64(66)76/h1-44H,45-48H2.
What are the key properties of 1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole?
1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole has a molecular weight of 1041.23 g/mol, XLogP of 17.05, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole is sourced from PubChem (CID 166007124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).