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

C96H64N4O — CID 139477691

IUPAC1-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
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc34)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc34)cc2C1(C)C
InChIInChI=1S/C96H64N4O/c1-95(2)76-55-61(85-69-33-15-11-29-65(69)83(66-30-12-16-34-70(66)85)57-43-47-59(48-44-57)93-97-78-38-20-22-40-80(78)99(93)63-25-7-5-8-26-63)51-53-73(76)87-88-75-37-19-24-42-82(75)101-92(88)89-74-54-52-62(56-77(74)96(3,4)91(89)90(87)95)86-71-35-17-13-31-67(71)84(68-32-14-18-36-72(68)86)58-45-49-60(50-46-58)94-98-79-39-21-23-41-81(79)100(94)64-27-9-6-10-28-64/h5-56H,1-4H3
InChIKeyRSEZELWLRLIFNH-UHFFFAOYSA-N
MW1289.59 g/mol
LogP25.49
Rot. Bonds8

About 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

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 (PubChem CID 139477691) has the molecular formula C96H64N4O and a molecular weight of 1289.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID139477691
Molecular FormulaC96H64N4O
Molecular Weight1289.59 g/mol
Exact Mass1288.51
IUPAC Name1-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
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc34)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc34)cc2C1(C)C
InChIInChI=1S/C96H64N4O/c1-95(2)76-55-61(85-69-33-15-11-29-65(69)83(66-30-12-16-34-70(66)85)57-43-47-59(48-44-57)93-97-78-38-20-22-40-80(78)99(93)63-25-7-5-8-26-63)51-53-73(76)87-88-75-37-19-24-42-82(75)101-92(88)89-74-54-52-62(56-77(74)96(3,4)91(89)90(87)95)86-71-35-17-13-31-67(71)84(68-32-14-18-36-72(68)86)58-45-49-60(50-46-58)94-98-79-39-21-23-41-81(79)100(94)64-27-9-6-10-28-64/h5-56H,1-4H3
InChIKeyRSEZELWLRLIFNH-UHFFFAOYSA-N
XLogP25.49
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001289.59
LogP ≤ 525.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
2-[4-[10,10-dimethyl-14,21-bis(4-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411779
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
2-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]-1-phenylbenzimidazole
CID 58411752
2-[4-[10,10-dimethyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411901
2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole
CID 58309665
1-[4-[10-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 118503511
4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
CID 118100161
2-(10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)-1-phenylbenzimidazole
CID 58412005
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc34)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc34)cc2C1(C)C.
What is the InChIKey of 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?
The InChIKey is RSEZELWLRLIFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H64N4O/c1-95(2)76-55-61(85-69-33-15-11-29-65(69)83(66-30-12-16-34-70(66)85)57-43-47-59(48-44-57)93-97-78-38-20-22-40-80(78)99(93)63-25-7-5-8-26-63)51-53-73(76)87-88-75-37-19-24-42-82(75)101-92(88)89-74-54-52-62(56-77(74)96(3,4)91(89)90(87)95)86-71-35-17-13-31-67(71)84(68-32-14-18-36-72(68)86)58-45-49-60(50-46-58)94-98-79-39-21-23-41-81(79)100(94)64-27-9-6-10-28-64/h5-56H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1289.59 g/mol, XLogP of 25.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139477691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).