9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole

C179H122N12O4 — CID 157140251

IUPAC9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)n(-c3ccccc3)c2c1.Cc1ccc2nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)n(-c3ccccc3)c2c1.Cc1cccc2c1nc(-c1cccc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)c1)n2-c1ccccc1.Cc1cccc2nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)n(-c3ccccc3)c12
InChIInChI=1S/C47H35N3O.3C44H29N3O/c1-47(2,3)32-24-25-40-43(29-32)50(33-14-5-4-6-15-33)46(48-40)31-13-11-16-34(27-31)49-41-21-9-7-17-36(41)39-28-30(23-26-42(39)49)35-19-12-20-38-37-18-8-10-22-44(37)51-45(35)38;1-28-12-9-21-38-42(28)47(31-14-3-2-4-15-31)44(45-38)30-13-10-16-32(26-30)46-39-22-7-5-17-34(39)37-27-29(24-25-40(37)46)33-19-11-20-36-35-18-6-8-23-41(35)48-43(33)36;1-28-12-9-22-40-42(28)45-44(47(40)31-14-3-2-4-15-31)30-13-10-16-32(26-30)46-38-21-7-5-17-34(38)37-27-29(24-25-39(37)46)33-19-11-20-36-35-18-6-8-23-41(35)48-43(33)36;1-28-21-23-38-41(25-28)47(31-12-3-2-4-13-31)44(45-38)30-11-9-14-32(26-30)46-39-19-7-5-15-34(39)37-27-29(22-24-40(37)46)33-17-10-18-36-35-16-6-8-20-42(35)48-43(33)36/h4-29H,1-3H3;3*2-27H,1H3
InChIKeyAKCLKFKLQLDWTA-UHFFFAOYSA-N
MW2505.02 g/mol
LogP47.65
Rot. Bonds16

About 9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole

9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole (PubChem CID 157140251) has the molecular formula C179H122N12O4 and a molecular weight of 2505.02 g/mol. Its IUPAC name is 9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole
PubChem CID157140251
Molecular FormulaC179H122N12O4
Molecular Weight2505.02 g/mol
Exact Mass2502.97
IUPAC Name9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)n(-c3ccccc3)c2c1.Cc1ccc2nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)n(-c3ccccc3)c2c1.Cc1cccc2c1nc(-c1cccc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)c1)n2-c1ccccc1.Cc1cccc2nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)n(-c3ccccc3)c12
InChIInChI=1S/C47H35N3O.3C44H29N3O/c1-47(2,3)32-24-25-40-43(29-32)50(33-14-5-4-6-15-33)46(48-40)31-13-11-16-34(27-31)49-41-21-9-7-17-36(41)39-28-30(23-26-42(39)49)35-19-12-20-38-37-18-8-10-22-44(37)51-45(35)38;1-28-12-9-21-38-42(28)47(31-14-3-2-4-15-31)44(45-38)30-13-10-16-32(26-30)46-39-22-7-5-17-34(39)37-27-29(24-25-40(37)46)33-19-11-20-36-35-18-6-8-23-41(35)48-43(33)36;1-28-12-9-22-40-42(28)45-44(47(40)31-14-3-2-4-15-31)30-13-10-16-32(26-30)46-38-21-7-5-17-34(38)37-27-29(24-25-39(37)46)33-19-11-20-36-35-18-6-8-23-41(35)48-43(33)36;1-28-21-23-38-41(25-28)47(31-12-3-2-4-13-31)44(45-38)30-11-9-14-32(26-30)46-39-19-7-5-15-34(39)37-27-29(22-24-40(37)46)33-17-10-18-36-35-16-6-8-20-42(35)48-43(33)36/h4-29H,1-3H3;3*2-27H,1H3
InChIKeyAKCLKFKLQLDWTA-UHFFFAOYSA-N
XLogP47.65
TPSA143.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002505.02
LogP ≤ 547.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole with MolForge

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Related Compounds

2-[3-[3,3-Bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide
CID 162652217
N-acetyl-N-[4-[4-[5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]acetamide
CID 57957953
N-acetyl-N-[4-[4-[5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]acetamide
CID 58443995
5-[4-(6-Fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90324675
5-[4-[2-Phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90327196
3-[9-[4,6-Bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276711
3-[9-[4,6-Bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276715
3-[9-[4-(8-Fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276720
3-[9-[4-(8-Fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276728
3-[9-[4,6-Bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276731
3-[9-[4-(6-Fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276735
3-[9-[4,6-Bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276741

Frequently Asked Questions

What is the IUPAC name of 9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole (CID 157140251) is 9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole is CC(C)(C)c1ccc2nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)n(-c3ccccc3)c2c1.Cc1ccc2nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)n(-c3ccccc3)c2c1.Cc1cccc2c1nc(-c1cccc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)c1)n2-c1ccccc1.Cc1cccc2nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)n(-c3ccccc3)c12.
What is the InChIKey of 9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The InChIKey is AKCLKFKLQLDWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3O.3C44H29N3O/c1-47(2,3)32-24-25-40-43(29-32)50(33-14-5-4-6-15-33)46(48-40)31-13-11-16-34(27-31)49-41-21-9-7-17-36(41)39-28-30(23-26-42(39)49)35-19-12-20-38-37-18-8-10-22-44(37)51-45(35)38;1-28-12-9-21-38-42(28)47(31-14-3-2-4-15-31)44(45-38)30-13-10-16-32(26-30)46-39-22-7-5-17-34(39)37-27-29(24-25-40(37)46)33-19-11-20-36-35-18-6-8-23-41(35)48-43(33)36;1-28-12-9-22-40-42(28)45-44(47(40)31-14-3-2-4-15-31)30-13-10-16-32(26-30)46-38-21-7-5-17-34(38)37-27-29(24-25-39(37)46)33-19-11-20-36-35-18-6-8-23-41(35)48-43(33)36;1-28-21-23-38-41(25-28)47(31-12-3-2-4-13-31)44(45-38)30-11-9-14-32(26-30)46-39-19-7-5-15-34(39)37-27-29(22-24-40(37)46)33-17-10-18-36-35-16-6-8-20-42(35)48-43(33)36/h4-29H,1-3H3;3*2-27H,1H3.
What are the key properties of 9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole?
9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole has a molecular weight of 2505.02 g/mol, XLogP of 47.65, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(6-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 157140251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).