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

C50H38N2 — CID 166042974

IUPAC1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccccc4)ccc23)cc1
InChIInChI=1S/C50H38N2/c1-4-47-51-45-20-12-13-21-46(45)52(47)36-26-22-33(23-27-36)48-39-17-8-9-18-40(39)49(42-30-34(24-29-41(42)48)32-14-6-5-7-15-32)35-25-28-38-37-16-10-11-19-43(37)50(2,3)44(38)31-35/h5-31H,4H2,1-3H3
InChIKeyZIXPAXDNRUFSHH-UHFFFAOYSA-N
MW666.87 g/mol
LogP13.20
Rot. Bonds5

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

1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole (PubChem CID 166042974) has the molecular formula C50H38N2 and a molecular weight of 666.87 g/mol. Its IUPAC name is 1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole
PubChem CID166042974
Molecular FormulaC50H38N2
Molecular Weight666.87 g/mol
Exact Mass666.30
IUPAC Name1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccccc4)ccc23)cc1
InChIInChI=1S/C50H38N2/c1-4-47-51-45-20-12-13-21-46(45)52(47)36-26-22-33(23-27-36)48-39-17-8-9-18-40(39)49(42-30-34(24-29-41(42)48)32-14-6-5-7-15-32)35-25-28-38-37-16-10-11-19-43(37)50(2,3)44(38)31-35/h5-31H,4H2,1-3H3
InChIKeyZIXPAXDNRUFSHH-UHFFFAOYSA-N
XLogP13.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.87
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole
CID 166043161
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
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
2-ethyl-1-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166043047
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
2-ethyl-1-[4-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]phenyl]benzimidazole
CID 166043163
2-ethyl-1-[4-[3-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166042959
2-[4-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411797
5-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 129192558
2-ethyl-1-[4-(10-phenanthren-4-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166042890
1-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-pyridinyl]-5-phenanthren-9-ylphenyl]-2-ethylbenzimidazole
CID 176622604

Frequently Asked Questions

What is the IUPAC name of 1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole?
The IUPAC name of 1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole (CID 166042974) is 1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole.
What is the SMILES notation for 1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole?
The canonical SMILES for 1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccccc4)ccc23)cc1.
What is the InChIKey of 1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole?
The InChIKey is ZIXPAXDNRUFSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N2/c1-4-47-51-45-20-12-13-21-46(45)52(47)36-26-22-33(23-27-36)48-39-17-8-9-18-40(39)49(42-30-34(24-29-41(42)48)32-14-6-5-7-15-32)35-25-28-38-37-16-10-11-19-43(37)50(2,3)44(38)31-35/h5-31H,4H2,1-3H3.
What are the key properties of 1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole?
1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole has a molecular weight of 666.87 g/mol, XLogP of 13.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole is sourced from PubChem (CID 166042974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).