1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide

C37H31N2- — CID 122402288

IUPAC1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide
SMILESCCC1(N2[CH-]N(C3(CC)c4ccccc4-c4ccccc43)c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C37H31N2/c1-3-36(30-19-9-5-15-26(30)27-16-6-10-20-31(27)36)38-25-39(35-24-14-13-23-34(35)38)37(4-2)32-21-11-7-17-28(32)29-18-8-12-22-33(29)37/h5-25H,3-4H2,1-2H3/q-1
InChIKeyYWYRUKGJQJLFPR-UHFFFAOYSA-N
MW503.67 g/mol
LogP9.10
Rot. Bonds4

About 1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide

1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide (PubChem CID 122402288) has the molecular formula C37H31N2- and a molecular weight of 503.67 g/mol. Its IUPAC name is 1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide.

Molecular Properties

Compound Name1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide
PubChem CID122402288
Molecular FormulaC37H31N2-
Molecular Weight503.67 g/mol
Exact Mass503.25
IUPAC Name1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide
SMILESCCC1(N2[CH-]N(C3(CC)c4ccccc4-c4ccccc43)c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C37H31N2/c1-3-36(30-19-9-5-15-26(30)27-16-6-10-20-31(27)36)38-25-39(35-24-14-13-23-34(35)38)37(4-2)32-21-11-7-17-28(32)29-18-8-12-22-33(29)37/h5-25H,3-4H2,1-2H3/q-1
InChIKeyYWYRUKGJQJLFPR-UHFFFAOYSA-N
XLogP9.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.67
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide?
The IUPAC name of 1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide (CID 122402288) is 1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide.
What is the SMILES notation for 1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide?
The canonical SMILES for 1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide is CCC1(N2[CH-]N(C3(CC)c4ccccc4-c4ccccc43)c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of 1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide?
The InChIKey is YWYRUKGJQJLFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N2/c1-3-36(30-19-9-5-15-26(30)27-16-6-10-20-31(27)36)38-25-39(35-24-14-13-23-34(35)38)37(4-2)32-21-11-7-17-28(32)29-18-8-12-22-33(29)37/h5-25H,3-4H2,1-2H3/q-1.
What are the key properties of 1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide?
1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide has a molecular weight of 503.67 g/mol, XLogP of 9.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide is sourced from PubChem (CID 122402288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).