1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole

C208H148N8 — CID 167535306

IUPAC1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc(-c5ccccc5)cc4)ccc23)cc1.CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3cc(-c4cccc(-c5ccccc5)c4)ccc23)cc1.CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4-c4ccccc4)ccc23)cc1.CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4ccc5ccccc5c4)ccc23)cc1
InChIInChI=1S/3C53H38N2.C49H34N2/c1-2-51-54-49-23-13-14-24-50(49)55(51)42-32-29-40(30-33-42)52-45-21-11-12-22-46(45)53(39-27-25-37(26-28-39)36-15-5-3-6-16-36)48-35-41(31-34-47(48)52)44-20-10-9-19-43(44)38-17-7-4-8-18-38;1-2-51-54-49-22-11-12-23-50(49)55(51)44-31-28-40(29-32-44)52-45-20-9-10-21-46(45)53(39-26-24-38(25-27-39)36-14-5-3-6-15-36)48-35-43(30-33-47(48)52)42-19-13-18-41(34-42)37-16-7-4-8-17-37;1-2-51-54-49-19-11-12-20-50(49)55(51)44-32-29-42(30-33-44)52-45-17-9-10-18-46(45)53(41-27-25-39(26-28-41)37-15-7-4-8-16-37)48-35-43(31-34-47(48)52)40-23-21-38(22-24-40)36-13-5-3-6-14-36;1-2-47-50-45-20-9-10-21-46(45)51(47)38-27-24-34(25-28-38)48-41-17-7-8-18-42(41)49(40-19-11-15-33-13-5-6-16-39(33)40)44-31-37(26-29-43(44)48)36-23-22-32-12-3-4-14-35(32)30-36/h3*3-35H,2H2,1H3;3-31H,2H2,1H3
InChIKeyAMGJJRLNFDXCOC-UHFFFAOYSA-N
MW2759.53 g/mol
LogP55.89
Rot. Bonds26

About 1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole

1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole (PubChem CID 167535306) has the molecular formula C208H148N8 and a molecular weight of 2759.53 g/mol. Its IUPAC name is 1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
PubChem CID167535306
Molecular FormulaC208H148N8
Molecular Weight2759.53 g/mol
Exact Mass2757.18
IUPAC Name1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc(-c5ccccc5)cc4)ccc23)cc1.CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3cc(-c4cccc(-c5ccccc5)c4)ccc23)cc1.CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4-c4ccccc4)ccc23)cc1.CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4ccc5ccccc5c4)ccc23)cc1
InChIInChI=1S/3C53H38N2.C49H34N2/c1-2-51-54-49-23-13-14-24-50(49)55(51)42-32-29-40(30-33-42)52-45-21-11-12-22-46(45)53(39-27-25-37(26-28-39)36-15-5-3-6-16-36)48-35-41(31-34-47(48)52)44-20-10-9-19-43(44)38-17-7-4-8-18-38;1-2-51-54-49-22-11-12-23-50(49)55(51)44-31-28-40(29-32-44)52-45-20-9-10-21-46(45)53(39-26-24-38(25-27-39)36-14-5-3-6-15-36)48-35-43(30-33-47(48)52)42-19-13-18-41(34-42)37-16-7-4-8-17-37;1-2-51-54-49-19-11-12-20-50(49)55(51)44-32-29-42(30-33-44)52-45-17-9-10-18-46(45)53(41-27-25-39(26-28-41)37-15-7-4-8-16-37)48-35-43(31-34-47(48)52)40-23-21-38(22-24-40)36-13-5-3-6-14-36;1-2-47-50-45-20-9-10-21-46(45)51(47)38-27-24-34(25-28-38)48-41-17-7-8-18-42(41)49(40-19-11-15-33-13-5-6-16-39(33)40)44-31-37(26-29-43(44)48)36-23-22-32-12-3-4-14-35(32)30-36/h3*3-35H,2H2,1H3;3-31H,2H2,1H3
InChIKeyAMGJJRLNFDXCOC-UHFFFAOYSA-N
XLogP55.89
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms216
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002759.53
LogP ≤ 555.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The IUPAC name of 1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole (CID 167535306) is 1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The canonical SMILES for 1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc(-c5ccccc5)cc4)ccc23)cc1.CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3cc(-c4cccc(-c5ccccc5)c4)ccc23)cc1.CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4-c4ccccc4)ccc23)cc1.CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4ccc5ccccc5c4)ccc23)cc1.
What is the InChIKey of 1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The InChIKey is AMGJJRLNFDXCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C53H38N2.C49H34N2/c1-2-51-54-49-23-13-14-24-50(49)55(51)42-32-29-40(30-33-42)52-45-21-11-12-22-46(45)53(39-27-25-37(26-28-39)36-15-5-3-6-16-36)48-35-41(31-34-47(48)52)44-20-10-9-19-43(44)38-17-7-4-8-18-38;1-2-51-54-49-22-11-12-23-50(49)55(51)44-31-28-40(29-32-44)52-45-20-9-10-21-46(45)53(39-26-24-38(25-27-39)36-14-5-3-6-15-36)48-35-43(30-33-47(48)52)42-19-13-18-41(34-42)37-16-7-4-8-17-37;1-2-51-54-49-19-11-12-20-50(49)55(51)44-32-29-42(30-33-44)52-45-17-9-10-18-46(45)53(41-27-25-39(26-28-41)37-15-7-4-8-16-37)48-35-43(31-34-47(48)52)40-23-21-38(22-24-40)36-13-5-3-6-14-36;1-2-47-50-45-20-9-10-21-46(45)51(47)38-27-24-34(25-28-38)48-41-17-7-8-18-42(41)49(40-19-11-15-33-13-5-6-16-39(33)40)44-31-37(26-29-43(44)48)36-23-22-32-12-3-4-14-35(32)30-36/h3*3-35H,2H2,1H3;3-31H,2H2,1H3.
What are the key properties of 1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole has a molecular weight of 2759.53 g/mol, XLogP of 55.89, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 167535306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).