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

C69H39N9O2 — CID 88958893

IUPAC5-[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
SMILESc1ccc2c(c1)nc1n(-c3cc(-c4ccc5oc6ccc(-n7c8ccccc8n8c9ccccc9nc78)cc6c5c4)cc(-c4ccc5oc6ccc(-n7c8ccccc8n8c9ccccc9nc78)cc6c5c4)c3)c3ccccc3n21
InChIInChI=1S/C69H39N9O2/c1-4-16-54-51(13-1)70-67-73(57-19-7-10-22-60(57)76(54)67)44-27-31-65-49(38-44)47-36-40(25-29-63(47)79-65)42-33-43(35-46(34-42)75-59-21-9-12-24-62(59)78-56-18-6-3-15-53(56)72-69(75)78)41-26-30-64-48(37-41)50-39-45(28-32-66(50)80-64)74-58-20-8-11-23-61(58)77-55-17-5-2-14-52(55)71-68(74)77/h1-39H
InChIKeyNJDRBEIRAQFOMX-UHFFFAOYSA-N
MW1026.13 g/mol
LogP17.05
Rot. Bonds5

About 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

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 (PubChem CID 88958893) has the molecular formula C69H39N9O2 and a molecular weight of 1026.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID88958893
Molecular FormulaC69H39N9O2
Molecular Weight1026.13 g/mol
Exact Mass1025.32
IUPAC Name5-[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
SMILESc1ccc2c(c1)nc1n(-c3cc(-c4ccc5oc6ccc(-n7c8ccccc8n8c9ccccc9nc78)cc6c5c4)cc(-c4ccc5oc6ccc(-n7c8ccccc8n8c9ccccc9nc78)cc6c5c4)c3)c3ccccc3n21
InChIInChI=1S/C69H39N9O2/c1-4-16-54-51(13-1)70-67-73(57-19-7-10-22-60(57)76(54)67)44-27-31-65-49(38-44)47-36-40(25-29-63(47)79-65)42-33-43(35-46(34-42)75-59-21-9-12-24-62(59)78-56-18-6-3-15-53(56)72-69(75)78)41-26-30-64-48(37-41)50-39-45(28-32-66(50)80-64)74-58-20-8-11-23-61(58)77-55-17-5-2-14-52(55)71-68(74)77/h1-39H
InChIKeyNJDRBEIRAQFOMX-UHFFFAOYSA-N
XLogP17.05
TPSA92.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001026.13
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

5-[8-(9-phenyl-9H-fluoren-3-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 121445257
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
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
5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146532365
2-dibenzofuran-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 138463178
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
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-[8-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole;5-[8-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole;5-[8-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 159498435
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-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248630
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)nc1n(-c3cc(-c4ccc5oc6ccc(-n7c8ccccc8n8c9ccccc9nc78)cc6c5c4)cc(-c4ccc5oc6ccc(-n7c8ccccc8n8c9ccccc9nc78)cc6c5c4)c3)c3ccccc3n21.
What is the InChIKey of 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?
The InChIKey is NJDRBEIRAQFOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H39N9O2/c1-4-16-54-51(13-1)70-67-73(57-19-7-10-22-60(57)76(54)67)44-27-31-65-49(38-44)47-36-40(25-29-63(47)79-65)42-33-43(35-46(34-42)75-59-21-9-12-24-62(59)78-56-18-6-3-15-53(56)72-69(75)78)41-26-30-64-48(37-41)50-39-45(28-32-66(50)80-64)74-58-20-8-11-23-61(58)77-55-17-5-2-14-52(55)71-68(74)77/h1-39H.
What are the key properties of 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?
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 has a molecular weight of 1026.13 g/mol, XLogP of 17.05, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 88958893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).