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

C46H30N6O — CID 135407484

IUPAC3-[4-[7-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESc1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccc3c(c2)oc2cc(-c4nc(-c5c[nH]c6ccccc56)[nH]c4-c4ccccc4)ccc23)cc1
InChIInChI=1S/C46H30N6O/c1-3-11-27(12-4-1)41-43(51-45(49-41)35-25-47-37-17-9-7-15-31(35)37)29-19-21-33-34-22-20-30(24-40(34)53-39(33)23-29)44-42(28-13-5-2-6-14-28)50-46(52-44)36-26-48-38-18-10-8-16-32(36)38/h1-26,47-48H,(H,49,51)(H,50,52)
InChIKeyJXKMUELQEDLZST-UHFFFAOYSA-N
MW682.79 g/mol
LogP12.00
Rot. Bonds6

About 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

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 (PubChem CID 135407484) has the molecular formula C46H30N6O and a molecular weight of 682.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[4-[7-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]-1H-indole
PubChem CID135407484
Molecular FormulaC46H30N6O
Molecular Weight682.79 g/mol
Exact Mass682.25
IUPAC Name3-[4-[7-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESc1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccc3c(c2)oc2cc(-c4nc(-c5c[nH]c6ccccc56)[nH]c4-c4ccccc4)ccc23)cc1
InChIInChI=1S/C46H30N6O/c1-3-11-27(12-4-1)41-43(51-45(49-41)35-25-47-37-17-9-7-15-31(35)37)29-19-21-33-34-22-20-30(24-40(34)53-39(33)23-29)44-42(28-13-5-2-6-14-28)50-46(52-44)36-26-48-38-18-10-8-16-32(36)38/h1-26,47-48H,(H,49,51)(H,50,52)
InChIKeyJXKMUELQEDLZST-UHFFFAOYSA-N
XLogP12.00
TPSA102.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.79
LogP ≤ 512.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 4207500
4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol
CID 135446515
CID 89277694
CID 89277694
2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole
CID 54520537
4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 142907594
3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 139757971
5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole
CID 163720949
5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole
CID 58319592
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
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
CID 118411404
2,4-diphenyl-6-[7-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 154624594

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccc3c(c2)oc2cc(-c4nc(-c5c[nH]c6ccccc56)[nH]c4-c4ccccc4)ccc23)cc1.
What is the InChIKey of 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?
The InChIKey is JXKMUELQEDLZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N6O/c1-3-11-27(12-4-1)41-43(51-45(49-41)35-25-47-37-17-9-7-15-31(35)37)29-19-21-33-34-22-20-30(24-40(34)53-39(33)23-29)44-42(28-13-5-2-6-14-28)50-46(52-44)36-26-48-38-18-10-8-16-32(36)38/h1-26,47-48H,(H,49,51)(H,50,52).
What are the key properties of 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?
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 has a molecular weight of 682.79 g/mol, XLogP of 12.00, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135407484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).