1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole

C37H28N2 — CID 169070739

IUPAC1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole
SMILES[2H]C([2H])([2H])c1nc2ccccc2n1-c1c2ccccc2c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc12
InChIInChI=1S/C37H28N2/c1-23-38-33-18-10-11-19-34(33)39(23)36-29-15-6-4-13-27(29)35(28-14-5-7-16-30(28)36)24-20-21-26-25-12-8-9-17-31(25)37(2,3)32(26)22-24/h4-22H,1-3H3/i1D3
InChIKeyKIQBGTQUAMSECS-FIBGUPNXSA-N
MW503.66 g/mol
LogP9.61
Rot. Bonds3

About 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole

1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole (PubChem CID 169070739) has the molecular formula C37H28N2 and a molecular weight of 503.66 g/mol. Its IUPAC name is 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole.

Molecular Properties

Compound Name1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole
PubChem CID169070739
Molecular FormulaC37H28N2
Molecular Weight503.66 g/mol
Exact Mass503.24
IUPAC Name1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole
SMILES[2H]C([2H])([2H])c1nc2ccccc2n1-c1c2ccccc2c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc12
InChIInChI=1S/C37H28N2/c1-23-38-33-18-10-11-19-34(33)39(23)36-29-15-6-4-13-27(29)35(28-14-5-7-16-30(28)36)24-20-21-26-25-12-8-9-17-31(25)37(2,3)32(26)22-24/h4-22H,1-3H3/i1D3
InChIKeyKIQBGTQUAMSECS-FIBGUPNXSA-N
XLogP9.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.66
LogP ≤ 59.61
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

1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-methylbenzimidazole
CID 170236349
1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 169070805
1-[10-(3-phenylphenyl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole
CID 169070200
1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]-1,2,3,4,5,6,7,8-octadeuterioanthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 169072144
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole
CID 143828980
1-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 170235644
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-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-1-naphthalen-1-ylbenzimidazole
CID 170236221
9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
CID 59195147
2-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 169072068
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
CID 169070935
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147

Frequently Asked Questions

What is the IUPAC name of 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole?
The IUPAC name of 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole (CID 169070739) is 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole.
What is the SMILES notation for 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole?
The canonical SMILES for 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole is [2H]C([2H])([2H])c1nc2ccccc2n1-c1c2ccccc2c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc12.
What is the InChIKey of 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole?
The InChIKey is KIQBGTQUAMSECS-FIBGUPNXSA-N. The full InChI is InChI=1S/C37H28N2/c1-23-38-33-18-10-11-19-34(33)39(23)36-29-15-6-4-13-27(29)35(28-14-5-7-16-30(28)36)24-20-21-26-25-12-8-9-17-31(25)37(2,3)32(26)22-24/h4-22H,1-3H3/i1D3.
What are the key properties of 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole?
1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole has a molecular weight of 503.66 g/mol, XLogP of 9.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole is sourced from PubChem (CID 169070739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).