5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene

C69H53N9O2 — CID 145276270

IUPAC5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene
SMILESC/C=C\C.C=CC.Cc1cc(C)c(-c2nc(-c3ccc4oc5ccc(-n6c7ccccc7n7c8ccccc8nc67)cc5c4c3)nc(-c3ccc4oc5ccc(-n6c7ccccc7n7c8ccccc8nc67)cc5c4c3)n2)c(C)c1
InChIInChI=1S/C62H39N9O2.C4H8.C3H6/c1-34-28-35(2)57(36(3)29-34)60-66-58(37-20-24-53-41(30-37)43-32-39(22-26-55(43)72-53)68-49-16-8-10-18-51(49)70-47-14-6-4-12-45(47)63-61(68)70)65-59(67-60)38-21-25-54-42(31-38)44-33-40(23-27-56(44)73-54)69-50-17-9-11-19-52(50)71-48-15-7-5-13-46(48)64-62(69)71;1-3-4-2;1-3-2/h4-33H,1-3H3;3-4H,1-2H3;3H,1H2,2H3/b;4-3-;
InChIKeyOGASTLTUEJWEJR-LWFKIUJUSA-N
MW1040.24 g/mol
LogP17.86
Rot. Bonds5

About 5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene

5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene (PubChem CID 145276270) has the molecular formula C69H53N9O2 and a molecular weight of 1040.24 g/mol. Its IUPAC name is 5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene.

Molecular Properties

Compound Name5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene
PubChem CID145276270
Molecular FormulaC69H53N9O2
Molecular Weight1040.24 g/mol
Exact Mass1039.43
IUPAC Name5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene
SMILESC/C=C\C.C=CC.Cc1cc(C)c(-c2nc(-c3ccc4oc5ccc(-n6c7ccccc7n7c8ccccc8nc67)cc5c4c3)nc(-c3ccc4oc5ccc(-n6c7ccccc7n7c8ccccc8nc67)cc5c4c3)n2)c(C)c1
InChIInChI=1S/C62H39N9O2.C4H8.C3H6/c1-34-28-35(2)57(36(3)29-34)60-66-58(37-20-24-53-41(30-37)43-32-39(22-26-55(43)72-53)68-49-16-8-10-18-51(49)70-47-14-6-4-12-45(47)63-61(68)70)65-59(67-60)38-21-25-54-42(31-38)44-33-40(23-27-56(44)73-54)69-50-17-9-11-19-52(50)71-48-15-7-5-13-46(48)64-62(69)71;1-3-4-2;1-3-2/h4-33H,1-3H3;3-4H,1-2H3;3H,1H2,2H3/b;4-3-;
InChIKeyOGASTLTUEJWEJR-LWFKIUJUSA-N
XLogP17.86
TPSA109.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001040.24
LogP ≤ 517.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene with MolForge

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Related Compounds

5-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 88958893
5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-phenylpyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole;5-[2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole;5-[2,6-bis(2,4-dimethylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole;5-[8-[2,6-bis(2,4,6-trimethylphenyl)pyrimidin-4-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-[8-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 160954715
2-dibenzofuran-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 138463178
3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 118243470
6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329801
5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole
CID 138712378
6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine
CID 163454977
5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146532365
5-[8-(9-phenyl-9H-fluoren-3-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 121445257
5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248630
17-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene;4-(9-dibenzofuran-2-ylcarbazol-3-yl)-17-phenyl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 158372183
2-[3-[8-[3-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-2-methyl-2H-benzimidazol-1-yl]aniline
CID 163629359

Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene?
The IUPAC name of 5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene (CID 145276270) is 5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene.
What is the SMILES notation for 5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene?
The canonical SMILES for 5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene is C/C=C\C.C=CC.Cc1cc(C)c(-c2nc(-c3ccc4oc5ccc(-n6c7ccccc7n7c8ccccc8nc67)cc5c4c3)nc(-c3ccc4oc5ccc(-n6c7ccccc7n7c8ccccc8nc67)cc5c4c3)n2)c(C)c1.
What is the InChIKey of 5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene?
The InChIKey is OGASTLTUEJWEJR-LWFKIUJUSA-N. The full InChI is InChI=1S/C62H39N9O2.C4H8.C3H6/c1-34-28-35(2)57(36(3)29-34)60-66-58(37-20-24-53-41(30-37)43-32-39(22-26-55(43)72-53)68-49-16-8-10-18-51(49)70-47-14-6-4-12-45(47)63-61(68)70)65-59(67-60)38-21-25-54-42(31-38)44-33-40(23-27-56(44)73-54)69-50-17-9-11-19-52(50)71-48-15-7-5-13-46(48)64-62(69)71;1-3-4-2;1-3-2/h4-33H,1-3H3;3-4H,1-2H3;3H,1H2,2H3/b;4-3-;.
What are the key properties of 5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene?
5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene has a molecular weight of 1040.24 g/mol, XLogP of 17.86, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene is sourced from PubChem (CID 145276270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).