2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole

C88H64N4O — CID 139477690

IUPAC2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3c5c(c6c(oc7ccccc76)c3-4)-c3ccc(-c4c6ccccc6c(-c6ccc(-n7c(CC)nc8ccccc87)cc6)c6ccccc46)cc3C5(C)C)c3ccccc23)cc1
InChIInChI=1S/C88H64N4O/c1-7-75-89-70-32-18-20-34-72(70)91(75)55-43-37-51(38-44-55)77-57-23-9-13-27-61(57)79(62-28-14-10-24-58(62)77)53-41-47-65-68(49-53)87(3,4)84-81(65)82-67-31-17-22-36-74(67)93-86(82)83-66-48-42-54(50-69(66)88(5,6)85(83)84)80-63-29-15-11-25-59(63)78(60-26-12-16-30-64(60)80)52-39-45-56(46-40-52)92-73-35-21-19-33-71(73)90-76(92)8-2/h9-50H,7-8H2,1-6H3
InChIKeyCBPPAIQBCMZNNM-UHFFFAOYSA-N
MW1193.51 g/mol
LogP23.28
Rot. Bonds8

About 2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole

2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole (PubChem CID 139477690) has the molecular formula C88H64N4O and a molecular weight of 1193.51 g/mol. Its IUPAC name is 2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole
PubChem CID139477690
Molecular FormulaC88H64N4O
Molecular Weight1193.51 g/mol
Exact Mass1192.51
IUPAC Name2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3c5c(c6c(oc7ccccc76)c3-4)-c3ccc(-c4c6ccccc6c(-c6ccc(-n7c(CC)nc8ccccc87)cc6)c6ccccc46)cc3C5(C)C)c3ccccc23)cc1
InChIInChI=1S/C88H64N4O/c1-7-75-89-70-32-18-20-34-72(70)91(75)55-43-37-51(38-44-55)77-57-23-9-13-27-61(57)79(62-28-14-10-24-58(62)77)53-41-47-65-68(49-53)87(3,4)84-81(65)82-67-31-17-22-36-74(67)93-86(82)83-66-48-42-54(50-69(66)88(5,6)85(83)84)80-63-29-15-11-25-59(63)78(60-26-12-16-30-64(60)80)52-39-45-56(46-40-52)92-73-35-21-19-33-71(73)90-76(92)8-2/h9-50H,7-8H2,1-6H3
InChIKeyCBPPAIQBCMZNNM-UHFFFAOYSA-N
XLogP23.28
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.51
LogP ≤ 523.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole with MolForge

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Related Compounds

1-phenyl-2-[4-[10-[18,18,21,21-tetramethyl-15-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole
CID 139477691
18,18,21,21-tetramethyl-15-(10-phenylanthracen-9-yl)-24-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 139477794
1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole
CID 166042974
15-[10-(4-tert-butylphenyl)anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
CID 139477793
24-tert-butyl-18,18,21,21-tetramethyl-15-(10-phenylanthracen-9-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 139477686
9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol
CID 170242730
6-[10-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163669126
2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole
CID 166043161
2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 170236015
3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 134594958
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole?
The IUPAC name of 2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole (CID 139477690) is 2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3c5c(c6c(oc7ccccc76)c3-4)-c3ccc(-c4c6ccccc6c(-c6ccc(-n7c(CC)nc8ccccc87)cc6)c6ccccc46)cc3C5(C)C)c3ccccc23)cc1.
What is the InChIKey of 2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole?
The InChIKey is CBPPAIQBCMZNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H64N4O/c1-7-75-89-70-32-18-20-34-72(70)91(75)55-43-37-51(38-44-55)77-57-23-9-13-27-61(57)79(62-28-14-10-24-58(62)77)53-41-47-65-68(49-53)87(3,4)84-81(65)82-67-31-17-22-36-74(67)93-86(82)83-66-48-42-54(50-69(66)88(5,6)85(83)84)80-63-29-15-11-25-59(63)78(60-26-12-16-30-64(60)80)52-39-45-56(46-40-52)92-73-35-21-19-33-71(73)90-76(92)8-2/h9-50H,7-8H2,1-6H3.
What are the key properties of 2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole?
2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole has a molecular weight of 1193.51 g/mol, XLogP of 23.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[10-[15-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 139477690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).