1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole

C110H78N4 — CID 167192166

IUPAC1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(-c4ccc(-c5ccc6c(c5)-c5c(-c7c8ccccc8c(-c8ccc(-n9c(CC)nc%10ccccc%109)cc8)c8ccc(-c9ccccc9)cc78)cccc5C6(C)C)cc4)ccc23)cc1
InChIInChI=1S/C110H78N4/c1-5-102-111-98-41-22-24-43-100(98)113(102)80-57-49-72(50-58-80)104-84-34-16-17-35-85(84)106(77-55-61-83-82-33-20-21-39-95(82)110(97(83)68-77,78-29-12-8-13-30-78)79-31-14-9-15-32-79)91-65-75(54-62-88(91)104)70-45-47-71(48-46-70)76-56-64-94-93(67-76)108-90(38-26-40-96(108)109(94,3)4)107-87-37-19-18-36-86(87)105(89-63-53-74(66-92(89)107)69-27-10-7-11-28-69)73-51-59-81(60-52-73)114-101-44-25-23-42-99(101)112-103(114)6-2/h7-68H,5-6H2,1-4H3
InChIKeyAIPKNFDHLNRHDW-UHFFFAOYSA-N
MW1455.86 g/mol
LogP28.44
Rot. Bonds13

About 1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole

1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole (PubChem CID 167192166) has the molecular formula C110H78N4 and a molecular weight of 1455.86 g/mol. Its IUPAC name is 1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole
PubChem CID167192166
Molecular FormulaC110H78N4
Molecular Weight1455.86 g/mol
Exact Mass1454.62
IUPAC Name1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(-c4ccc(-c5ccc6c(c5)-c5c(-c7c8ccccc8c(-c8ccc(-n9c(CC)nc%10ccccc%109)cc8)c8ccc(-c9ccccc9)cc78)cccc5C6(C)C)cc4)ccc23)cc1
InChIInChI=1S/C110H78N4/c1-5-102-111-98-41-22-24-43-100(98)113(102)80-57-49-72(50-58-80)104-84-34-16-17-35-85(84)106(77-55-61-83-82-33-20-21-39-95(82)110(97(83)68-77,78-29-12-8-13-30-78)79-31-14-9-15-32-79)91-65-75(54-62-88(91)104)70-45-47-71(48-46-70)76-56-64-94-93(67-76)108-90(38-26-40-96(108)109(94,3)4)107-87-37-19-18-36-86(87)105(89-63-53-74(66-92(89)107)69-27-10-7-11-28-69)73-51-59-81(60-52-73)114-101-44-25-23-42-99(101)112-103(114)6-2/h7-68H,5-6H2,1-4H3
InChIKeyAIPKNFDHLNRHDW-UHFFFAOYSA-N
XLogP28.44
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001455.86
LogP ≤ 528.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole 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

1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole
CID 166042974
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-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166043047
2-ethyl-1-[4-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]phenyl]benzimidazole
CID 166043163
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
2-ethyl-1-[4-(10-phenanthren-4-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166042890
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-1-phenylbenzimidazole
CID 59195314
2-ethyl-1-[4-[3-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166042959
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole
CID 167191942

Frequently Asked Questions

What is the IUPAC name of 1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole?
The IUPAC name of 1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole (CID 167192166) is 1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole.
What is the SMILES notation for 1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole?
The canonical SMILES for 1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(-c4ccc(-c5ccc6c(c5)-c5c(-c7c8ccccc8c(-c8ccc(-n9c(CC)nc%10ccccc%109)cc8)c8ccc(-c9ccccc9)cc78)cccc5C6(C)C)cc4)ccc23)cc1.
What is the InChIKey of 1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole?
The InChIKey is AIPKNFDHLNRHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H78N4/c1-5-102-111-98-41-22-24-43-100(98)113(102)80-57-49-72(50-58-80)104-84-34-16-17-35-85(84)106(77-55-61-83-82-33-20-21-39-95(82)110(97(83)68-77,78-29-12-8-13-30-78)79-31-14-9-15-32-79)91-65-75(54-62-88(91)104)70-45-47-71(48-46-70)76-56-64-94-93(67-76)108-90(38-26-40-96(108)109(94,3)4)107-87-37-19-18-36-86(87)105(89-63-53-74(66-92(89)107)69-27-10-7-11-28-69)73-51-59-81(60-52-73)114-101-44-25-23-42-99(101)112-103(114)6-2/h7-68H,5-6H2,1-4H3.
What are the key properties of 1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole?
1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole has a molecular weight of 1455.86 g/mol, XLogP of 28.44, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[10-[6-[4-[9-(9,9-diphenylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole is sourced from PubChem (CID 167192166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).