2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole

C195H116N6O6 — CID 160578699

IUPAC2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7oc8c9ccccc9ccc8c7c6)c6ccccc6c(-c6ccc7oc8c9ccccc9ccc8c7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7oc8cc9ccccc9cc8c7c6)c6ccccc6c(-c6ccc7oc8cc9ccccc9cc8c7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc(C2Nc3ccccc3N2c2ccc(-c3ccc4c(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc5c(-c5ccc6oc7cc8ccccc8cc7c6c5)c4c3)cc2)cc1
InChIInChI=1S/2C65H38N2O2.C65H40N2O2/c1-2-16-48(17-3-1)67-58-21-11-10-20-57(58)66-65(67)40-24-22-39(23-25-40)45-26-29-51-56(34-45)64(47-28-31-60-53(36-47)55-33-42-13-5-7-15-44(42)38-62(55)69-60)50-19-9-8-18-49(50)63(51)46-27-30-59-52(35-46)54-32-41-12-4-6-14-43(41)37-61(54)68-59;1-2-14-46(15-3-1)67-58-21-11-10-20-57(58)66-65(67)42-24-22-39(23-25-42)43-28-31-51-56(36-43)62(45-30-35-60-55(38-45)53-33-27-41-13-5-7-17-48(41)64(53)69-60)50-19-9-8-18-49(50)61(51)44-29-34-59-54(37-44)52-32-26-40-12-4-6-16-47(40)63(52)68-59;1-2-12-40(13-3-1)65-66-57-20-10-11-21-58(57)67(65)48-27-22-39(23-28-48)45-24-29-51-56(34-45)64(47-26-31-60-53(36-47)55-33-42-15-5-7-17-44(42)38-62(55)69-60)50-19-9-8-18-49(50)63(51)46-25-30-59-52(35-46)54-32-41-14-4-6-16-43(41)37-61(54)68-59/h2*1-38H;1-38,65-66H
InChIKeyRBMJOKRSAMCJMC-UHFFFAOYSA-N
MW2639.11 g/mol
LogP54.57
Rot. Bonds15

About 2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole

2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole (PubChem CID 160578699) has the molecular formula C195H116N6O6 and a molecular weight of 2639.11 g/mol. Its IUPAC name is 2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole
PubChem CID160578699
Molecular FormulaC195H116N6O6
Molecular Weight2639.11 g/mol
Exact Mass2636.90
IUPAC Name2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7oc8c9ccccc9ccc8c7c6)c6ccccc6c(-c6ccc7oc8c9ccccc9ccc8c7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7oc8cc9ccccc9cc8c7c6)c6ccccc6c(-c6ccc7oc8cc9ccccc9cc8c7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc(C2Nc3ccccc3N2c2ccc(-c3ccc4c(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc5c(-c5ccc6oc7cc8ccccc8cc7c6c5)c4c3)cc2)cc1
InChIInChI=1S/2C65H38N2O2.C65H40N2O2/c1-2-16-48(17-3-1)67-58-21-11-10-20-57(58)66-65(67)40-24-22-39(23-25-40)45-26-29-51-56(34-45)64(47-28-31-60-53(36-47)55-33-42-13-5-7-15-44(42)38-62(55)69-60)50-19-9-8-18-49(50)63(51)46-27-30-59-52(35-46)54-32-41-12-4-6-14-43(41)37-61(54)68-59;1-2-14-46(15-3-1)67-58-21-11-10-20-57(58)66-65(67)42-24-22-39(23-25-42)43-28-31-51-56(36-43)62(45-30-35-60-55(38-45)53-33-27-41-13-5-7-17-48(41)64(53)69-60)50-19-9-8-18-49(50)61(51)44-29-34-59-54(37-44)52-32-26-40-12-4-6-16-47(40)63(52)68-59;1-2-12-40(13-3-1)65-66-57-20-10-11-21-58(57)67(65)48-27-22-39(23-28-48)45-24-29-51-56(34-45)64(47-26-31-60-53(36-47)55-33-42-15-5-7-17-44(42)38-62(55)69-60)50-19-9-8-18-49(50)63(51)46-25-30-59-52(35-46)54-32-41-14-4-6-16-43(41)37-61(54)68-59/h2*1-38H;1-38,65-66H
InChIKeyRBMJOKRSAMCJMC-UHFFFAOYSA-N
XLogP54.57
TPSA129.75 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002639.11
LogP ≤ 554.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole 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-naphthalen-2-ylethanone bromide
CID 162655764
2-[4-[5-(1H-benzimidazol-2-yl)benzofuran-2-yl]phenyl]-1H-benzimidazole
CID 25139629
2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzofuran-5-yl]-1H-benzimidazole
CID 25139630
2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)benzofuran-2-yl]phenyl]-1H-benzimidazole
CID 25139631
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 72204128
2-[3-[3,3-Bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 162643142
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
1-Naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone bromide
CID 71726676
2-[3-(1-Dibenzofuran-2-ylethyl)benzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 72206196
2-[3-[3,3-Bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 162653771
1H-Benzimidazole-5-carboximidamide, 2,2'-(2,5-furandiyldi-4,1-phenylene)bis(N-cyclopentyl-
CID 135499488
48-Ethyl-13,53-dimethoxy-10,17,48-triaza-3,24-diazoniaundecacyclo[40.2.2.212,15.226,29.13,10.117,24.131,35.134,37.136,40.04,9.018,23]pentapentaconta-1(44),3(55),4,6,8,12(54),13,15(53),18,20,22,24(52),26,28,31(49),32,34,36,38,40(47),42,45,50-tricosaene-30,41-dione dibromide
CID 44578299

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole?
The IUPAC name of 2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole (CID 160578699) is 2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole.
What is the SMILES notation for 2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole?
The canonical SMILES for 2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole is c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7oc8c9ccccc9ccc8c7c6)c6ccccc6c(-c6ccc7oc8c9ccccc9ccc8c7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7oc8cc9ccccc9cc8c7c6)c6ccccc6c(-c6ccc7oc8cc9ccccc9cc8c7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc(C2Nc3ccccc3N2c2ccc(-c3ccc4c(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc5c(-c5ccc6oc7cc8ccccc8cc7c6c5)c4c3)cc2)cc1.
What is the InChIKey of 2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole?
The InChIKey is RBMJOKRSAMCJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C65H38N2O2.C65H40N2O2/c1-2-16-48(17-3-1)67-58-21-11-10-20-57(58)66-65(67)40-24-22-39(23-25-40)45-26-29-51-56(34-45)64(47-28-31-60-53(36-47)55-33-42-13-5-7-15-44(42)38-62(55)69-60)50-19-9-8-18-49(50)63(51)46-27-30-59-52(35-46)54-32-41-12-4-6-14-43(41)37-61(54)68-59;1-2-14-46(15-3-1)67-58-21-11-10-20-57(58)66-65(67)42-24-22-39(23-25-42)43-28-31-51-56(36-43)62(45-30-35-60-55(38-45)53-33-27-41-13-5-7-17-48(41)64(53)69-60)50-19-9-8-18-49(50)61(51)44-29-34-59-54(37-44)52-32-26-40-12-4-6-16-47(40)63(52)68-59;1-2-12-40(13-3-1)65-66-57-20-10-11-21-58(57)67(65)48-27-22-39(23-28-48)45-24-29-51-56(34-45)64(47-26-31-60-53(36-47)55-33-42-15-5-7-17-44(42)38-62(55)69-60)50-19-9-8-18-49(50)63(51)46-25-30-59-52(35-46)54-32-41-14-4-6-16-43(41)37-61(54)68-59/h2*1-38H;1-38,65-66H.
What are the key properties of 2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole?
2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole has a molecular weight of 2639.11 g/mol, XLogP of 54.57, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 160578699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).