2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole

C57H42N4 — CID 155334842

IUPAC2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole
SMILESCCn1c(-c2cccc3c(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc(-c5nc6ccccc6n5CC)c4cc23)nc2ccccc21
InChIInChI=1S/C57H42N4/c1-3-60-51-34-15-13-32-49(51)58-55(60)41-27-17-25-39-45(41)36-46-40(26-18-28-42(46)56-59-50-33-14-16-35-52(50)61(56)4-2)53(39)44-29-19-31-48-54(44)43-24-11-12-30-47(43)57(48,37-20-7-5-8-21-37)38-22-9-6-10-23-38/h5-36H,3-4H2,1-2H3
InChIKeyKIUXEFSRBKOPSW-UHFFFAOYSA-N
MW782.99 g/mol
LogP14.10
Rot. Bonds7

About 2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole

2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole (PubChem CID 155334842) has the molecular formula C57H42N4 and a molecular weight of 782.99 g/mol. Its IUPAC name is 2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole.

Molecular Properties

Compound Name2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole
PubChem CID155334842
Molecular FormulaC57H42N4
Molecular Weight782.99 g/mol
Exact Mass782.34
IUPAC Name2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole
SMILESCCn1c(-c2cccc3c(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc(-c5nc6ccccc6n5CC)c4cc23)nc2ccccc21
InChIInChI=1S/C57H42N4/c1-3-60-51-34-15-13-32-49(51)58-55(60)41-27-17-25-39-45(41)36-46-40(26-18-28-42(46)56-59-50-33-14-16-35-52(50)61(56)4-2)53(39)44-29-19-31-48-54(44)43-24-11-12-30-47(43)57(48,37-20-7-5-8-21-37)38-22-9-6-10-23-38/h5-36H,3-4H2,1-2H3
InChIKeyKIUXEFSRBKOPSW-UHFFFAOYSA-N
XLogP14.10
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.99
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9-diphenylfluoren-4-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole
CID 155333720
5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine
CID 164959294
1-ethyl-2-[10-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaenyl)anthracen-9-yl]benzimidazole
CID 167412245
1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole
CID 122627125
6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-(9,9-diphenylfluoren-4-yl)anthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 155334034
1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 155333714
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-4'-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole
CID 155335122
1-ethyl-2-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)naphthalen-1-yl]benzimidazole
CID 167413067
1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 171405751
4-[10-(9,9-diphenylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine
CID 155333482
1-[10-(9,9-diphenylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 158916579
2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 142453614

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole?
The IUPAC name of 2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole (CID 155334842) is 2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole.
What is the SMILES notation for 2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole?
The canonical SMILES for 2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole is CCn1c(-c2cccc3c(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc(-c5nc6ccccc6n5CC)c4cc23)nc2ccccc21.
What is the InChIKey of 2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole?
The InChIKey is KIUXEFSRBKOPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N4/c1-3-60-51-34-15-13-32-49(51)58-55(60)41-27-17-25-39-45(41)36-46-40(26-18-28-42(46)56-59-50-33-14-16-35-52(50)61(56)4-2)53(39)44-29-19-31-48-54(44)43-24-11-12-30-47(43)57(48,37-20-7-5-8-21-37)38-22-9-6-10-23-38/h5-36H,3-4H2,1-2H3.
What are the key properties of 2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole?
2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole has a molecular weight of 782.99 g/mol, XLogP of 14.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole is sourced from PubChem (CID 155334842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).