acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole)

C230H148N24O20 — CID 163330799

IUPACacetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole)
SMILESCC(=O)O.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/6C38H24N4O3.C2H4O2/c6*1-3-9-23(10-4-1)33-35(41-37(39-33)31-13-7-19-43-31)25-15-17-29-27(21-25)28-22-26(16-18-30(28)45-29)36-34(24-11-5-2-6-12-24)40-38(42-36)32-14-8-20-44-32;1-2(3)4/h6*1-22H,(H,39,41)(H,40,42);1H3,(H,3,4)
InChIKeyHKOQACCVPWFQJX-UHFFFAOYSA-N
MW3567.86 g/mol
LogP61.41
Rot. Bonds36

About acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole)

acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole) (PubChem CID 163330799) has the molecular formula C230H148N24O20 and a molecular weight of 3567.86 g/mol. Its IUPAC name is acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole).

Molecular Properties

Compound Nameacetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole)
PubChem CID163330799
Molecular FormulaC230H148N24O20
Molecular Weight3567.86 g/mol
Exact Mass3565.13
IUPAC Nameacetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole)
SMILESCC(=O)O.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/6C38H24N4O3.C2H4O2/c6*1-3-9-23(10-4-1)33-35(41-37(39-33)31-13-7-19-43-31)25-15-17-29-27(21-25)28-22-26(16-18-30(28)45-29)36-34(24-11-5-2-6-12-24)40-38(42-36)32-14-8-20-44-32;1-2(3)4/h6*1-22H,(H,39,41)(H,40,42);1H3,(H,3,4)
InChIKeyHKOQACCVPWFQJX-UHFFFAOYSA-N
XLogP61.41
TPSA617.98 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds36
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003567.86
LogP ≤ 561.41
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole) with MolForge

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Related Compounds

N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide
CID 135495715
2-(4-methoxyphenyl)-5-[8-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-4-phenyl-1H-imidazole
CID 135415841
2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole
CID 3106630
4-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]benzenesulfonamide
CID 18463732
bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate
CID 157413088
4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol
CID 135446515
2-(furan-2-yl)-5-methyl-4-phenyl-1H-imidazole
CID 73335465
3-[4-[7-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]-1H-indole
CID 135407484
2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
CID 3123808
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 3123820

Frequently Asked Questions

What is the IUPAC name of acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole)?
The IUPAC name of acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole) (CID 163330799) is acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole).
What is the SMILES notation for acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole)?
The canonical SMILES for acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole) is CC(=O)O.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccc3oc4ccc(-c5nc(-c6ccco6)[nH]c5-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole)?
The InChIKey is HKOQACCVPWFQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/6C38H24N4O3.C2H4O2/c6*1-3-9-23(10-4-1)33-35(41-37(39-33)31-13-7-19-43-31)25-15-17-29-27(21-25)28-22-26(16-18-30(28)45-29)36-34(24-11-5-2-6-12-24)40-38(42-36)32-14-8-20-44-32;1-2(3)4/h6*1-22H,(H,39,41)(H,40,42);1H3,(H,3,4).
What are the key properties of acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole)?
acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole) has a molecular weight of 3567.86 g/mol, XLogP of 61.41, 36 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole) is sourced from PubChem (CID 163330799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).